2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide

C15H21N5O — CID 60847179

IUPAC2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H21N5O/c1-3-8-15(2,16)14(21)19-13-6-4-12(5-7-13)9-20-11-17-10-18-20/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,19,21)
InChIKeyBRKRPAWPRAJIKV-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.78
Rot. Bonds6

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

2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide (PubChem CID 60847179) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
PubChem CID60847179
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C15H21N5O/c1-3-8-15(2,16)14(21)19-13-6-4-12(5-7-13)9-20-11-17-10-18-20/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,19,21)
InChIKeyBRKRPAWPRAJIKV-UHFFFAOYSA-N
XLogP1.78
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-chloro-2,2-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 63679034
2-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62832697
2-amino-2-methyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pentanamide;dihydrochloride
CID 119846813
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
2-amino-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119843461
N-tert-butyl-4-(1,2,4-triazol-1-ylmethyl)aniline
CID 143722818
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
2-amino-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 79804775
3-oxo-3-[4-(1,2,4-triazol-1-ylmethyl)anilino]propanoic acid
CID 62229939
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide (CID 60847179) is 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide is CCCC(C)(N)C(=O)Nc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is BRKRPAWPRAJIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-8-15(2,16)14(21)19-13-6-4-12(5-7-13)9-20-11-17-10-18-20/h4-7,10-11H,3,8-9,16H2,1-2H3,(H,19,21).
What are the key properties of 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide?
2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide has a molecular weight of 287.37 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 60847179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).