N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide

C22H25N5O — CID 119603536

IUPACN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O/c1-15-21(22(28)24-20-9-5-8-18(20)14-23)25-26-27(15)19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-4,6-7,10-13,18,20H,5,8-9,14,23H2,1H3,(H,24,28)
InChIKeyMLUPKKATKAEKQZ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide

N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide (PubChem CID 119603536) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
PubChem CID119603536
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N5O/c1-15-21(22(28)24-20-9-5-8-18(20)14-23)25-26-27(15)19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-4,6-7,10-13,18,20H,5,8-9,14,23H2,1H3,(H,24,28)
InChIKeyMLUPKKATKAEKQZ-UHFFFAOYSA-N
XLogP3.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide 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-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119601545
5-methyl-1-(4-phenylphenyl)-N-piperidin-4-yltriazole-4-carboxamide
CID 119388737
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide;hydrochloride
CID 119607707
N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119605319
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-phenylpyridine-3-carboxamide;dihydrochloride
CID 119610704
5-methyl-N-[(E)-pent-3-enyl]-1-(4-phenylphenyl)triazole-4-carboxamide
CID 86952801
(3R)-1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697850
N-[2-(aminomethyl)cyclopentyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 119602891
N-[2-(aminomethyl)cyclopentyl]-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 119601120
[3-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone
CID 119491525
N-[2-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119603819

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide (CID 119603536) is N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide is Cc1c(C(=O)NC2CCCC2CN)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
The InChIKey is MLUPKKATKAEKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-21(22(28)24-20-9-5-8-18(20)14-23)25-26-27(15)19-12-10-17(11-13-19)16-6-3-2-4-7-16/h2-4,6-7,10-13,18,20H,5,8-9,14,23H2,1H3,(H,24,28).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-(4-phenylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 119603536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).