N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide

C11H14N6O — CID 131910457

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc(N)n[nH]2)cc(C)n1
InChIInChI=1S/C11H14N6O/c1-6-3-8(4-7(2)14-6)10(18)13-5-9-15-11(12)17-16-9/h3-4H,5H2,1-2H3,(H,13,18)(H3,12,15,16,17)
InChIKeyLCXZSZOAFXBUDB-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.33
Rot. Bonds3

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide (PubChem CID 131910457) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide
PubChem CID131910457
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc(N)n[nH]2)cc(C)n1
InChIInChI=1S/C11H14N6O/c1-6-3-8(4-7(2)14-6)10(18)13-5-9-15-11(12)17-16-9/h3-4H,5H2,1-2H3,(H,13,18)(H3,12,15,16,17)
InChIKeyLCXZSZOAFXBUDB-UHFFFAOYSA-N
XLogP0.33
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-(2-methylphenyl)benzamide
CID 91782901
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 126468209
N-[[4-(hydroxymethyl)phenyl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 77087853
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70726471
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2,6-dimethylpyridine-4-carboxamide
CID 137092384
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-propan-2-ylsulfanylacetamide
CID 122567549
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
(2S)-N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-ethoxypropanamide
CID 126428098
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 167842332
4-amino-N-[[3-[4-(dimethylamino)phenyl]-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569650
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170505311

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide (CID 131910457) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide is Cc1cc(C(=O)NCc2nc(N)n[nH]2)cc(C)n1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide?
The InChIKey is LCXZSZOAFXBUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-6-3-8(4-7(2)14-6)10(18)13-5-9-15-11(12)17-16-9/h3-4H,5H2,1-2H3,(H,13,18)(H3,12,15,16,17).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2,6-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 131910457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).