N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

C14H25N5O — CID 115309300

IUPACN-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC(CN)C2CCCCC2)n[nH]1
InChIInChI=1S/C14H25N5O/c1-2-6-12-17-13(19-18-12)14(20)16-11(9-15)10-7-4-3-5-8-10/h10-11H,2-9,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyONOJGRFGVCRPFE-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.39
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide

N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 115309300) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID115309300
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCCc1nc(C(=O)NC(CN)C2CCCCC2)n[nH]1
InChIInChI=1S/C14H25N5O/c1-2-6-12-17-13(19-18-12)14(20)16-11(9-15)10-7-4-3-5-8-10/h10-11H,2-9,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyONOJGRFGVCRPFE-UHFFFAOYSA-N
XLogP1.39
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-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-amino-1-cyclopentylethyl)-5-tert-butyl-1H-1,2,4-triazole-3-carboxamide
CID 106737647
2-methyl-3-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]butanoic acid
CID 113415863
N-(2-amino-1-cyclohexylethyl)-5-tert-butyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119591594
N-(2-methoxyethoxy)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 82721493
N-(2-amino-1-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 106737632
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114152193
N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119591831
N-(2-amino-1-cyclohexylethyl)-3,5-dibromobenzamide
CID 107973523
N-(2-amino-1-cyclohexylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 154577712
N-(2-amino-1-cyclohexylethyl)-1H-imidazole-5-carboxamide
CID 113283771
2-[(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283992
N-(2-amino-1-cyclohexylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119591824

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide (CID 115309300) is N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is CCCc1nc(C(=O)NC(CN)C2CCCCC2)n[nH]1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is ONOJGRFGVCRPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-2-6-12-17-13(19-18-12)14(20)16-11(9-15)10-7-4-3-5-8-10/h10-11H,2-9,15H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide?
N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-5-propyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 115309300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).