Basic information
- CAS
891035-96-4- Standard SMILES
CCCc1cc(=O)n2[nH]c(N)nc2n1- InChIKey
GBPHKZAUMLUTOP-UHFFFAOYSA-N- Molecular formula
- C8H11N5O
- Average molar mass
- 193.21 g/mol
- Monoisotopic mass
- 193.09635999
Names & identifiers
- Preferred name
- 2-amino-5-propyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
- IUPAC
- 2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
- English name
- CHEMBRDG-BB 9071497
- Molecular formula
- C8H11N5O
- Molecular weight
- 193.21
Names & synonyms
2-amino-5-propyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one2-amino-5-propyl-3H,7H-(1,2,4)triazolo(1,5-a)pyrimidin-7-oneRefChem:464670868-343-6891035-96-42-AMINO-5-PROPYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE2-amino-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one2-Amino-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-oneSCHEMBL26662250DTXSID10394866RKB03596MFCD08691958
Show more names
CHEMBRDG-BB 9071497[1,2,4]Triazolo[1,5-a]pyrimidin-7(1H)-one, 2-amino-5-propyl-2-amino-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one(SALTDATA: FREE)
AKOS001877446AT12191CCG-143639CS-0256773EN300-65169F0001-2204Z12623274312-Amino-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one
Database identifiers
- CAS
891035-96-4
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 320.4 · 320.4±25.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- 2.02 · 2.02±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 36 · 36/37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 36/37
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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