4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide

C10H11N5O — CID 110463040

IUPAC4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNCc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N5O/c11-5-7-1-3-8(4-2-7)9(16)14-10-12-6-13-15-10/h1-4,6H,5,11H2,(H2,12,13,14,15,16)
InChIKeyUMYDESLGUKEECN-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.52
Rot. Bonds3

About 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide

4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 110463040) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID110463040
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESNCc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C10H11N5O/c11-5-7-1-3-8(4-2-7)9(16)14-10-12-6-13-15-10/h1-4,6H,5,11H2,(H2,12,13,14,15,16)
InChIKeyUMYDESLGUKEECN-UHFFFAOYSA-N
XLogP0.52
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865174
4-cyano-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866073
4-(dimethylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30866056
4-butoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 7376074
4-bromo-N-[4-[2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]phenyl]benzamide
CID 60506877
5-amino-N-(1H-1,2,4-triazol-5-yl)furan-2-carboxamide
CID 82344382
6-oxo-N-(1H-1,2,4-triazol-5-yl)pyran-3-carboxamide
CID 60722966
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 6462000
1-methyl-N-(1H-1,2,4-triazol-5-yl)indazole-6-carboxamide
CID 110475562
N-(1H-1,2,4-triazol-5-yl)-1H-indole-5-carboxamide
CID 63718442
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
3-prop-2-enoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2995099

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 110463040) is 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is NCc1ccc(C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is UMYDESLGUKEECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-5-7-1-3-8(4-2-7)9(16)14-10-12-6-13-15-10/h1-4,6H,5,11H2,(H2,12,13,14,15,16).
What are the key properties of 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 217.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 110463040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).