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

C6H10N4O — CID 63810853

IUPAC2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(N)=O
InChIInChI=1S/C6H10N4O/c1-5(6(7)11)2-10-4-8-3-9-10/h3-5H,2H2,1H3,(H2,7,11)
InChIKeyYABIPVYYOHDVSK-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.60
Rot. Bonds3

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

2-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 63810853) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID63810853
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(Cn1cncn1)C(N)=O
InChIInChI=1S/C6H10N4O/c1-5(6(7)11)2-10-4-8-3-9-10/h3-5H,2H2,1H3,(H2,7,11)
InChIKeyYABIPVYYOHDVSK-UHFFFAOYSA-N
XLogP-0.60
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropanoylamino)-3-(1,2,4-triazol-1-yl)propanoic acid
CID 117063889
N-(2,3-dihydro-1H-inden-2-yl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131926945
N-propan-2-yl-2-[[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]amino]acetamide
CID 95207497
(2R)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanethioamide
CID 142091668
2-carbamoyloxy-3-(1,2,4-triazol-1-yl)propanoic acid
CID 155012654
1-[(2S)-2-methylbutyl]-1,2,4-triazole
CID 89197135
2-methyl-N-(2-pyridin-4-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 131925012
(2S)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 59990743
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473
1-[(1R,2S,6R,7S)-4,10-diazatricyclo[5.2.1.02,6]decan-10-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propan-1-one
CID 131946077
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563469
(2S)-4-methyl-2-[4-(1,2,4-triazol-1-yl)butanoylamino]pentanamide
CID 131948202

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of 2-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 63810853) is 2-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-3-(1,2,4-triazol-1-yl)propanamide is CC(Cn1cncn1)C(N)=O.
What is the InChIKey of 2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is YABIPVYYOHDVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-5(6(7)11)2-10-4-8-3-9-10/h3-5H,2H2,1H3,(H2,7,11).
What are the key properties of 2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
2-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 154.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 63810853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).