N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

C15H18N4O2 — CID 110021729

IUPACN-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)N(CCO)C3CC3)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-18-10-16-14(17-18)11-2-4-12(5-3-11)15(21)19(8-9-20)13-6-7-13/h2-5,10,13,20H,6-9H2,1H3
InChIKeyWHPSSQKCZPILID-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.08
Rot. Bonds5

About N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide

N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 110021729) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID110021729
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(-c2ccc(C(=O)N(CCO)C3CC3)cc2)n1
InChIInChI=1S/C15H18N4O2/c1-18-10-16-14(17-18)11-2-4-12(5-3-11)15(21)19(8-9-20)13-6-7-13/h2-5,10,13,20H,6-9H2,1H3
InChIKeyWHPSSQKCZPILID-UHFFFAOYSA-N
XLogP1.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)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

N-benzyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110020225
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-(2-cyclopropyl-2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021591
N-cyclopropyl-6-(dimethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 43576622
6-bromo-N-cyclopropyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 66462316
N-cyclopropyl-N-(2-hydroxyethyl)-6-methoxypyridine-3-carboxamide
CID 43577386
N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethylbenzamide
CID 43576906
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-cyclopropyl-N-(2-hydroxyethyl)-4-(methylsulfonylmethyl)benzamide
CID 43576669
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]methanone
CID 110024673
N-[2-(hydroxymethyl)cyclohexyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 110021776
N-cyclopropyl-N-(2-hydroxyethyl)furan-3-carboxamide
CID 43576881

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 110021729) is N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cn1cnc(-c2ccc(C(=O)N(CCO)C3CC3)cc2)n1.
What is the InChIKey of N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is WHPSSQKCZPILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-10-16-14(17-18)11-2-4-12(5-3-11)15(21)19(8-9-20)13-6-7-13/h2-5,10,13,20H,6-9H2,1H3.
What are the key properties of N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide?
N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 286.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-hydroxyethyl)-4-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 110021729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).