3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide

C18H25N5O — CID 119694330

IUPAC3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide
SMILESCC(C)(C)c1ccc(-c2nc(NC(=O)C3CCC(N)C3)n[nH]2)cc1
InChIInChI=1S/C18H25N5O/c1-18(2,3)13-7-4-11(5-8-13)15-20-17(23-22-15)21-16(24)12-6-9-14(19)10-12/h4-5,7-8,12,14H,6,9-10,19H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyIAWKLDUBXCLJAZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.84
Rot. Bonds3

About 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide

3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 119694330) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide
PubChem CID119694330
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide
SMILESCC(C)(C)c1ccc(-c2nc(NC(=O)C3CCC(N)C3)n[nH]2)cc1
InChIInChI=1S/C18H25N5O/c1-18(2,3)13-7-4-11(5-8-13)15-20-17(23-22-15)21-16(24)12-6-9-14(19)10-12/h4-5,7-8,12,14H,6,9-10,19H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyIAWKLDUBXCLJAZ-UHFFFAOYSA-N
XLogP2.84
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-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

(2S)-2-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]propanamide;hydrochloride
CID 119273805
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
4-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]pentanamide;hydrochloride
CID 120559402
(3R,4S)-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120919982
N-[5-[4-(3-acetamido-1H-1,2,4-triazol-5-yl)phenyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 44615693
N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]-2-fluorobenzamide
CID 9246070
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 119752747
N-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 166581405
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
2-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 58561999
3-amino-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopentane-1-carboxamide
CID 119777248
3-amino-N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119896415

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide (CID 119694330) is 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide is CC(C)(C)c1ccc(-c2nc(NC(=O)C3CCC(N)C3)n[nH]2)cc1.
What is the InChIKey of 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide?
The InChIKey is IAWKLDUBXCLJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-18(2,3)13-7-4-11(5-8-13)15-20-17(23-22-15)21-16(24)12-6-9-14(19)10-12/h4-5,7-8,12,14H,6,9-10,19H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide?
3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(4-tert-butylphenyl)-1H-1,2,4-triazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119694330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).