N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide

C17H21N5O — CID 167921131

IUPACN-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NC1CC(N2CCCC2)C1)c1ccccc1-n1cncn1
InChIInChI=1S/C17H21N5O/c23-17(20-13-9-14(10-13)21-7-3-4-8-21)15-5-1-2-6-16(15)22-12-18-11-19-22/h1-2,5-6,11-14H,3-4,7-10H2,(H,20,23)
InChIKeyVZOIOEDFJFXRDU-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.62
Rot. Bonds4

About N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide

N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide (PubChem CID 167921131) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide
PubChem CID167921131
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NC1CC(N2CCCC2)C1)c1ccccc1-n1cncn1
InChIInChI=1S/C17H21N5O/c23-17(20-13-9-14(10-13)21-7-3-4-8-21)15-5-1-2-6-16(15)22-12-18-11-19-22/h1-2,5-6,11-14H,3-4,7-10H2,(H,20,23)
InChIKeyVZOIOEDFJFXRDU-UHFFFAOYSA-N
XLogP1.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-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-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 155503009
5-[1-[2-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]phenyl]triazol-4-yl]pyridine-3-carboxylic acid
CID 167796830
N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 91770458
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2-(1,2,4-triazol-1-yl)benzamide
CID 56759826
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(1,2,4-triazol-1-yl)benzamide
CID 135092758
(2S)-2-cyclopropyl-2-[[2-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 122558428
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95214370
3-[(3-pyrrolidin-1-ylcyclobutyl)carbamoyl]benzoic acid
CID 167891040
(4-cyclopropyl-2-methylpiperazin-1-yl)-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 162635585
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
CID 112728999

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide (CID 167921131) is N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide is O=C(NC1CC(N2CCCC2)C1)c1ccccc1-n1cncn1.
What is the InChIKey of N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is VZOIOEDFJFXRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c23-17(20-13-9-14(10-13)21-7-3-4-8-21)15-5-1-2-6-16(15)22-12-18-11-19-22/h1-2,5-6,11-14H,3-4,7-10H2,(H,20,23).
What are the key properties of N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide?
N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylcyclobutyl)-2-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 167921131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).