Structure Info
- Chemspace ID
- CSMB00015201610 (Enamine MADE)
- CAS
- 99613-60-2
- MFCD
- MFCD08898844
- IUPAC Name
- 5-amino-1-[(4-methylphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
- Mol formula
- C11H13N5O
- Mol weight
- 231 Da
- Catalog Number(s)
- A262971, BBV-53099808, BD01038525, CS-0281624, CSC015201610, CUR-0137241, D296-0045, EN300-238258, F2147-0336, HY-W219082, IBS-E0298800, LN01261736
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.4
- Heavy atoms count
- 17
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 100
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB00015201610
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