(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide

C15H21N5O — CID 104902677

IUPAC(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H21N5O/c1-10(2)7-13(16)15(21)18-12-6-4-5-11(8-12)14-19-17-9-20(14)3/h4-6,8-10,13H,7,16H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyHRRHXKOJOAWYLG-CYBMUJFWSA-N
MW287.37 g/mol
LogP1.79
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide

(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (PubChem CID 104902677) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
PubChem CID104902677
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cccc(-c2nncn2C)c1
InChIInChI=1S/C15H21N5O/c1-10(2)7-13(16)15(21)18-12-6-4-5-11(8-12)14-19-17-9-20(14)3/h4-6,8-10,13H,7,16H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyHRRHXKOJOAWYLG-CYBMUJFWSA-N
XLogP1.79
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119293663
4-amino-2-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 80542568
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 114014321
4-amino-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide;hydrochloride
CID 120560585
2-bromo-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 55125969
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
4-hydroxy-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 79204969
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
(2S)-2-amino-4-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]pentanamide
CID 61180352
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 61180537
3-(ethylamino)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]butanamide
CID 62837372
N-[(2R)-1-[3-(4-methyl-1,2,4-triazol-3-yl)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95146686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide (CID 104902677) is (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is CC(C)C[C@@H](N)C(=O)Nc1cccc(-c2nncn2C)c1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
The InChIKey is HRRHXKOJOAWYLG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)7-13(16)15(21)18-12-6-4-5-11(8-12)14-19-17-9-20(14)3/h4-6,8-10,13H,7,16H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide?
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide has a molecular weight of 287.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 104902677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).