(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

C13H16N4O2 — CID 42563469

IUPAC(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Cn2cncn2)cc1
InChIInChI=1S/C13H16N4O2/c1-10(7-17-9-14-8-15-17)13(18)16-11-3-5-12(19-2)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyRRFWAYUGMVUEBN-JTQLQIEISA-N
MW260.30 g/mol
LogP1.56
Rot. Bonds5

About (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42563469) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID42563469
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Cn2cncn2)cc1
InChIInChI=1S/C13H16N4O2/c1-10(7-17-9-14-8-15-17)13(18)16-11-3-5-12(19-2)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,16,18)/t10-/m0/s1
InChIKeyRRFWAYUGMVUEBN-JTQLQIEISA-N
XLogP1.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 42588525
(2S)-N-(3-acetylphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563471
(2S)-2-methyl-N-[(2R)-2-(4-methylphenoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 92557955
3-(ethylamino)-2-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 62851988
(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 51598314
2-(4-methoxyphenoxy)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]propanamide
CID 55769296
2-methyl-N-[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 46971969
(2R,3S)-3-(4-methoxyphenyl)-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]butan-2-amine
CID 97230919
(2S)-2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 36518284
2-(4-fluorophenoxy)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 42955508
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131926945

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 42563469) is (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is COc1ccc(NC(=O)[C@@H](C)Cn2cncn2)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is RRFWAYUGMVUEBN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10(7-17-9-14-8-15-17)13(18)16-11-3-5-12(19-2)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42563469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).