3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

C11H14N6O — CID 62669805

IUPAC3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESCC(CN)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C11H14N6O/c1-8(4-12)11(18)16-9-2-3-10(14-5-9)17-7-13-6-15-17/h2-3,5-8H,4,12H2,1H3,(H,16,18)
InChIKeyYTKXGSQAKJPXCG-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.20
Rot. Bonds4

About 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 62669805) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID62669805
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESCC(CN)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C11H14N6O/c1-8(4-12)11(18)16-9-2-3-10(14-5-9)17-7-13-6-15-17/h2-3,5-8H,4,12H2,1H3,(H,16,18)
InChIKeyYTKXGSQAKJPXCG-UHFFFAOYSA-N
XLogP0.20
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 75461242
(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 94812811
(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 51957022
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 95323379
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 94795866
1-[1-(furan-2-yl)ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040652
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 95145415
1-[(2R)-2-hydroxy-2-methylbutyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 94815212
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 62669805) is 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is CC(CN)C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is YTKXGSQAKJPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-8(4-12)11(18)16-9-2-3-10(14-5-9)17-7-13-6-15-17/h2-3,5-8H,4,12H2,1H3,(H,16,18).
What are the key properties of 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 62669805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).