(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide

C15H21N5O — CID 61180537

IUPAC(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCc1nc(-c2cccc(NC(=O)[C@@H](N)CC(C)C)c2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-9(2)7-13(16)15(21)18-12-6-4-5-11(8-12)14-17-10(3)19-20-14/h4-6,8-9,13H,7,16H2,1-3H3,(H,18,21)(H,17,19,20)/t13-/m0/s1
InChIKeyPTURMMRAMUXFDT-ZDUSSCGKSA-N
MW287.37 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide

(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide (PubChem CID 61180537) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
PubChem CID61180537
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCc1nc(-c2cccc(NC(=O)[C@@H](N)CC(C)C)c2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-9(2)7-13(16)15(21)18-12-6-4-5-11(8-12)14-17-10(3)19-20-14/h4-6,8-9,13H,7,16H2,1-3H3,(H,18,21)(H,17,19,20)/t13-/m0/s1
InChIKeyPTURMMRAMUXFDT-ZDUSSCGKSA-N
XLogP2.09
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667
2-amino-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide;hydrochloride
CID 119298771
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-phenylacetamide
CID 122157227
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 131899761
(2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902793
2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide (CID 61180537) is (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide is Cc1nc(-c2cccc(NC(=O)[C@@H](N)CC(C)C)c2)n[nH]1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
The InChIKey is PTURMMRAMUXFDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(2)7-13(16)15(21)18-12-6-4-5-11(8-12)14-17-10(3)19-20-14/h4-6,8-9,13H,7,16H2,1-3H3,(H,18,21)(H,17,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide has a molecular weight of 287.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 61180537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).