Basic information
- Standard SMILES
Cn1ncc2[nH]c(=O)[nH]c(=O)c21- InChIKey
OAXSBZVGKPGEDJ-UHFFFAOYSA-N- Molecular formula
- C6H6N4O2
- Average molar mass
- 166.14 g/mol
- Monoisotopic mass
- 166.04907543
Names & identifiers
- Preferred name
- 1-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-d)pyrimidine-5,7-dione
- IUPAC
- 1-methyl-4H-pyrazolo[4,5-d]pyrimidine-5,7-dione
- English name
- 1-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione
- Molecular formula
- C6H6N4O2
- Molecular weight
- 166.14
Names & synonyms
1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione1-methyl-1H,4H,5H,6H,7H-pyrazolo(4,3-d)pyrimidine-5,7-dioneRefChem:433747868-492-783824-38-81-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione1-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione1-Methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7-diolMFCD166207091-methyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione, 1-methyl-SCHEMBL1096280
Show more names
SCHEMBL14020991SCHEMBL31664144DTXSID30433100OAXSBZVGKPGEDJ-UHFFFAOYSA-NIDA82438AKOS027338911SB38940AS-36553
Database identifiers
- CAS
83824-38-8- PubChem CID
- 9942242
- DTXSID
DTXSID30433100- EC Number
- 868-492-7
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 10.31 · 10.31±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H320-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H320-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers17 total
上海爱孜康医药研究有限公司18721109360 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
嘉兴市德亿化工有限公司86-0573-85866609 18367600069 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
陕西伊坤特医药科技有限公司18049260030 18049260030 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
海南骅翔医药科技有限公司18389863383 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
南京英士奇生物科技有限公司18727012071 · [email protected]
上海松帆医药科技有限公司17321241880 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
2 records
Linked notes
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