1H-1,2,4-Triazole-1-carboximidamide
Basic information
- CAS
19503-46-9- Standard SMILES
N=C(N)n1cncn1- InChIKey
CDIOIIJXUJXYPB-UHFFFAOYSA-N- Molecular formula
- C3H5N5
- Average molar mass
- 111.11 g/mol
- Monoisotopic mass
- 111.05449518
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-1-carboximidamide
- IUPAC
- 1,2,4-triazole-1-carboximidamide
- English name
- 1H-1,2,4-triazole-1-carboxiMidaMide
- Molecular formula
- C3H5N5
- Molecular weight
- 111.11
Names & synonyms
1H-1,2,4-Triazole-1-carboximidamide19503-46-91,2,4-triazole-1-carboximidamide1H-1,2,4-Triazole-1-CarboxamidineMFCD079950431-guanyl-1,2,4-triazoleSCHEMBL41032051,2,4-triazole-1-carboxamidineCDIOIIJXUJXYPB-UHFFFAOYSA-NSTR03065AKOS00628347835V25Q235A
Show more names
PD042781TZCDB-226238NS000703151,2,4-triazole-1-carboximidamide,hydrochlorideI11757EN300-7551600
Database identifiers
- CAS
19503-46-9- PubChem CID
- 445106
- UNII
- 35V25Q235A
- Nikkaji
- J2.918.266C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 99.8
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 270.8 · 270.8±23.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 5.79 · 5.79±0.49(Predicted)
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Related reactions
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Compound notes
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