(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

C13H16N4O — CID 34950969

IUPAC(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccccc1CNC(=O)[C@@H](C)n1cncn1
InChIInChI=1S/C13H16N4O/c1-10-5-3-4-6-12(10)7-15-13(18)11(2)17-9-14-8-16-17/h3-6,8-9,11H,7H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyUZNJMYMMCFBDCB-LLVKDONJSA-N
MW244.30 g/mol
LogP1.46
Rot. Bonds4

About (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 34950969) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID34950969
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccccc1CNC(=O)[C@@H](C)n1cncn1
InChIInChI=1S/C13H16N4O/c1-10-5-3-4-6-12(10)7-15-13(18)11(2)17-9-14-8-16-17/h3-6,8-9,11H,7H2,1-2H3,(H,15,18)/t11-/m1/s1
InChIKeyUZNJMYMMCFBDCB-LLVKDONJSA-N
XLogP1.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2-fluorophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950323
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
(2S)-N-[(2-phenoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94810471
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400
(2R)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95308719
(2R)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94171586
(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021481
N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 61400915
N-(2,6-dimethylphenyl)-2-[2-(1,2,4-triazol-1-yl)propanoylamino]benzamide
CID 50965855
(2R)-N-[(2-methylphenyl)methyl]-2-(4-nitropyrazol-1-yl)propanamide
CID 97340692
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide (CID 34950969) is (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is Cc1ccccc1CNC(=O)[C@@H](C)n1cncn1.
What is the InChIKey of (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is UZNJMYMMCFBDCB-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-5-3-4-6-12(10)7-15-13(18)11(2)17-9-14-8-16-17/h3-6,8-9,11H,7H2,1-2H3,(H,15,18)/t11-/m1/s1.
What are the key properties of (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 244.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 34950969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).