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

C12H16N6O — CID 79195681

IUPAC2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H16N6O/c1-9(5-13-2)12(19)17-10-3-4-11(15-6-10)18-8-14-7-16-18/h3-4,6-9,13H,5H2,1-2H3,(H,17,19)
InChIKeyONYIJEPJRBKMPA-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.46
Rot. Bonds5

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

2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 79195681) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID79195681
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H16N6O/c1-9(5-13-2)12(19)17-10-3-4-11(15-6-10)18-8-14-7-16-18/h3-4,6-9,13H,5H2,1-2H3,(H,17,19)
InChIKeyONYIJEPJRBKMPA-UHFFFAOYSA-N
XLogP0.46
TPSA84.73 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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119731490
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
N-(6-chloro-3-pyridinyl)-2-methyl-3-(methylamino)propanamide
CID 81489773
5-oxo-5-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]amino]pentanoic acid
CID 60941239
(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 79195681) is 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is CNCC(C)C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is ONYIJEPJRBKMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-9(5-13-2)12(19)17-10-3-4-11(15-6-10)18-8-14-7-16-18/h3-4,6-9,13H,5H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 79195681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).