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

C12H16N6O — CID 81087312

IUPAC4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
SMILESCC(CN)CC(=O)Nc1cccnc1-n1cncn1
InChIInChI=1S/C12H16N6O/c1-9(6-13)5-11(19)17-10-3-2-4-15-12(10)18-8-14-7-16-18/h2-4,7-9H,5-6,13H2,1H3,(H,17,19)
InChIKeyANHHWANAJDLILA-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.59
Rot. Bonds5

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

4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide (PubChem CID 81087312) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
PubChem CID81087312
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
SMILESCC(CN)CC(=O)Nc1cccnc1-n1cncn1
InChIInChI=1S/C12H16N6O/c1-9(6-13)5-11(19)17-10-3-2-4-15-12(10)18-8-14-7-16-18/h2-4,7-9H,5-6,13H2,1H3,(H,17,19)
InChIKeyANHHWANAJDLILA-UHFFFAOYSA-N
XLogP0.59
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 62046673
5-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 82011031
3-methyl-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 62966283
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119859600
4-amino-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51983091
2-[benzenesulfonyl(methyl)amino]-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 47083800
N-(2,6-dimethylheptan-4-yl)-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 61167513
4-oxo-4-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]but-2-enoic acid
CID 61167729
2-(2,4-dichlorophenoxy)-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]acetamide
CID 47083831
3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
CID 81070411
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide (CID 81087312) is 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide is CC(CN)CC(=O)Nc1cccnc1-n1cncn1.
What is the InChIKey of 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
The InChIKey is ANHHWANAJDLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9(6-13)5-11(19)17-10-3-2-4-15-12(10)18-8-14-7-16-18/h2-4,7-9H,5-6,13H2,1H3,(H,17,19).
What are the key properties of 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide?
4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide has a molecular weight of 260.30 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 81087312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).