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

C15H21N5O — CID 104902793

IUPAC(2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCc1nc(-c2ccccc2NC(=O)[C@H](N)CC(C)C)n[nH]1
InChIInChI=1S/C15H21N5O/c1-9(2)8-12(16)15(21)18-13-7-5-4-6-11(13)14-17-10(3)19-20-14/h4-7,9,12H,8,16H2,1-3H3,(H,18,21)(H,17,19,20)/t12-/m1/s1
InChIKeyKGVPGUKMPYNIMP-GFCCVEGCSA-N
MW287.37 g/mol
LogP2.09
Rot. Bonds5

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

(2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide (PubChem CID 104902793) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
PubChem CID104902793
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name(2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
SMILESCc1nc(-c2ccccc2NC(=O)[C@H](N)CC(C)C)n[nH]1
InChIInChI=1S/C15H21N5O/c1-9(2)8-12(16)15(21)18-13-7-5-4-6-11(13)14-17-10(3)19-20-14/h4-7,9,12H,8,16H2,1-3H3,(H,18,21)(H,17,19,20)/t12-/m1/s1
InChIKeyKGVPGUKMPYNIMP-GFCCVEGCSA-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-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 47423979
2-chloro-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 43698496
2-methyl-3-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropanoic acid
CID 114897949
(2S)-2-amino-4-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 61180537
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
(2S)-2-amino-N-[2-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)phenyl]propanamide;hydrochloride
CID 119296859
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
1-(aminomethyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclopropane-1-carboxamide
CID 115452444
5-[2-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-5-oxopentanoic acid
CID 60942165
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide (CID 104902793) is (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide is Cc1nc(-c2ccccc2NC(=O)[C@H](N)CC(C)C)n[nH]1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
The InChIKey is KGVPGUKMPYNIMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(2)8-12(16)15(21)18-13-7-5-4-6-11(13)14-17-10(3)19-20-14/h4-7,9,12H,8,16H2,1-3H3,(H,18,21)(H,17,19,20)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide?
(2R)-2-amino-4-methyl-N-[2-(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 (2R)-2-amino-4-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pentanamide is sourced from PubChem (CID 104902793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).