2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride

C14H20ClN5O — CID 119295882

IUPAC2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(-n2cncn2)cc1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-2-3-13(15)14(20)17-8-11-4-6-12(7-5-11)19-10-16-9-18-19;/h4-7,9-10,13H,2-3,8,15H2,1H3,(H,17,20);1H
InChIKeyZCDOSZVJHHLFJE-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.43
Rot. Bonds6

About 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride

2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride (PubChem CID 119295882) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride
PubChem CID119295882
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NCc1ccc(-n2cncn2)cc1.Cl
InChIInChI=1S/C14H19N5O.ClH/c1-2-3-13(15)14(20)17-8-11-4-6-12(7-5-11)19-10-16-9-18-19;/h4-7,9-10,13H,2-3,8,15H2,1H3,(H,17,20);1H
InChIKeyZCDOSZVJHHLFJE-UHFFFAOYSA-N
XLogP1.43
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;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

2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295878
2-amino-N-[(4-methylsulfanylphenyl)methyl]pentanamide;hydrochloride
CID 119302802
3-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 119295872
2-amino-N-benzylpentanamide
CID 11020044
1-(3-hydroxy-4-methylpentyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 111505046
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
(2S)-2-amino-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 107569508
1-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119866385
(2S)-2-amino-4-methylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119838437
2-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119843461
2-amino-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pentanamide;hydrochloride
CID 119302653
(2S)-3-cyclohexyl-2-hydroxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 129433174

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride (CID 119295882) is 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride is CCCC(N)C(=O)NCc1ccc(-n2cncn2)cc1.Cl.
What is the InChIKey of 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride?
The InChIKey is ZCDOSZVJHHLFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O.ClH/c1-2-3-13(15)14(20)17-8-11-4-6-12(7-5-11)19-10-16-9-18-19;/h4-7,9-10,13H,2-3,8,15H2,1H3,(H,17,20);1H.
What are the key properties of 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride?
2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 119295882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).