N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride

C16H22ClN5O — CID 119537563

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccccc1Cn1cncn1
InChIInChI=1S/C16H21N5O.ClH/c22-16(19-8-6-13-5-7-17-9-13)15-4-2-1-3-14(15)10-21-12-18-11-20-21;/h1-4,11-13,17H,5-10H2,(H,19,22);1H
InChIKeyVKOOSTXUSWMTLZ-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.48
Rot. Bonds6

About N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride (PubChem CID 119537563) has the molecular formula C16H22ClN5O and a molecular weight of 335.84 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
PubChem CID119537563
Molecular FormulaC16H22ClN5O
Molecular Weight335.84 g/mol
Exact Mass335.15
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccccc1Cn1cncn1
InChIInChI=1S/C16H21N5O.ClH/c22-16(19-8-6-13-5-7-17-9-13)15-4-2-1-3-14(15)10-21-12-18-11-20-21;/h1-4,11-13,17H,5-10H2,(H,19,22);1H
InChIKeyVKOOSTXUSWMTLZ-UHFFFAOYSA-N
XLogP1.48
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride 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-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119394078
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 96565837
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120890077
2-(2-phenylethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119557940
2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535955
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535357
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
5-pyrrolidin-3-yl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide;dihydrochloride
CID 120603291
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride (CID 119537563) is N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1ccccc1Cn1cncn1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is VKOOSTXUSWMTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O.ClH/c22-16(19-8-6-13-5-7-17-9-13)15-4-2-1-3-14(15)10-21-12-18-11-20-21;/h1-4,11-13,17H,5-10H2,(H,19,22);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 335.84 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119537563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).