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

C13H17N5O — CID 47036224

IUPAC2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H17N5O/c1-3-10(2)13(19)16-7-11-4-5-12(15-6-11)18-9-14-8-17-18/h4-6,8-10H,3,7H2,1-2H3,(H,16,19)
InChIKeyRHHNHAKLGHBGDA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds5

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

2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 47036224) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
PubChem CID47036224
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H17N5O/c1-3-10(2)13(19)16-7-11-4-5-12(15-6-11)18-9-14-8-17-18/h4-6,8-10H,3,7H2,1-2H3,(H,16,19)
InChIKeyRHHNHAKLGHBGDA-UHFFFAOYSA-N
XLogP1.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 3922884
N-[(E)-pyridin-3-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6884292
N-[(E)-pyridin-4-ylmethylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6884762
1-[5-[(4-Fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-methylpropan-1-one
CID 3934876
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-4-yl)pyrimidin-4-yl]acetamide
CID 25138074
1-[3-[4-[(5-Amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]phenyl]pyrrolidin-1-yl]ethanone
CID 56593838
1-butyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 1817894
1-(5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl)-3-methylbutan-1-one
CID 3476108
1-[5-(Benzylamino)-3-pyridin-3-yl-1,2,4-triazol-1-yl]propan-1-one
CID 4686951
2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
CID 10114711
2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide (CID 47036224) is 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide is CCC(C)C(=O)NCc1ccc(-n2cncn2)nc1.
What is the InChIKey of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is RHHNHAKLGHBGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-10(2)13(19)16-7-11-4-5-12(15-6-11)18-9-14-8-17-18/h4-6,8-10H,3,7H2,1-2H3,(H,16,19).
What are the key properties of 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide?
2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 259.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 47036224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).