Basic information
- CAS
931-85-1- Standard SMILES
Nc1cn[nH]c(=O)n1- InChIKey
SVXNJCYYMRMXNM-UHFFFAOYSA-N- Molecular formula
- C3H4N4O
- Average molar mass
- 112.09 g/mol
- Monoisotopic mass
- 112.03851076
Overview
3-amino-1,2,4-triazin-5(2H)-one is an isosteric isomer of isocytosine; structure given in first source
Names & identifiers
- Preferred name
- 5-amino-1,2,4-triazin-3(2H)-one
- IUPAC
- 5-amino-2H-1,2,4-triazin-3-one
- English name
- 6-AZACYTOSINE
- Molecular formula
- C3H4N4O
- Molecular weight
- 112.09
Names & synonyms
5-Amino-1,2,4-triazin-3(2H)-one6-Azacytosine931-85-1DFL3UJ2GLWNSC-132918DTXSID20239274RefChem:104232DTXCID40161765213-241-35-amino-2H-1,2,4-triazin-3-one1,2,4-Triazin-3(2H)-one, 5-amino-5-amino-2,3-dihydro-1,2,4-triazin-3-one
Show more names
AZACYTOSINE, 6-5-AMINO-AS-TRIAZINE-3(2H)-ONE5-azanyl-2H-1,2,4-triazin-3-one5-AMINO-3-HYDROXY-1,2,4,TRIAZINE
MFCD00023642EINECS 213-241-3NSC132918NSC 132918SCHEMBL195844SCHEMBL3138182SCHEMBL4081537SCHEMBL7840154
Database identifiers
- CAS
931-85-1- PubChem CID
- 70265
- DTXSID
DTXSID20239274- UNII
- DFL3UJ2GLW
- EC Number
- 213-241-3
- Nikkaji
- J1.745K
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- 8.56 · 8.56±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers9 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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