4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

C12H15N5O — CID 64523789

IUPAC4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C12H15N5O/c1-13-10-4-2-9(3-5-10)12(18)14-7-6-11-15-8-16-17-11/h2-5,8,13H,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyQQRWOMFJKRBUGL-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.82
Rot. Bonds5

About 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 64523789) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID64523789
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C12H15N5O/c1-13-10-4-2-9(3-5-10)12(18)14-7-6-11-15-8-16-17-11/h2-5,8,13H,6-7H2,1H3,(H,14,18)(H,15,16,17)
InChIKeyQQRWOMFJKRBUGL-UHFFFAOYSA-N
XLogP0.82
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 104641538
tert-butyl N-[4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]phenyl]carbamate
CID 125130901
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64547578
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
4-tert-butyl-N-[2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]benzamide
CID 122142700
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 64546842
4-prop-2-enoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64546203
4-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 64525294
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 115283343
2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 64523789) is 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is CNc1ccc(C(=O)NCCc2ncn[nH]2)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is QQRWOMFJKRBUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-13-10-4-2-9(3-5-10)12(18)14-7-6-11-15-8-16-17-11/h2-5,8,13H,6-7H2,1H3,(H,14,18)(H,15,16,17).
What are the key properties of 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide?
4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 245.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 64523789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).