2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

C11H14N6O — CID 113379111

IUPAC2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncn[nH]2)cc(N)n1
InChIInChI=1S/C11H14N6O/c1-7-3-8(4-9(12)15-7)11(18)17(2)5-10-13-6-14-16-10/h3-4,6H,5H2,1-2H3,(H2,12,15)(H,13,14,16)
InChIKeyQNPAXQHLLBXSFP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.36
Rot. Bonds3

About 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide

2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 113379111) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID113379111
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ncn[nH]2)cc(N)n1
InChIInChI=1S/C11H14N6O/c1-7-3-8(4-9(12)15-7)11(18)17(2)5-10-13-6-14-16-10/h3-4,6H,5H2,1-2H3,(H2,12,15)(H,13,14,16)
InChIKeyQNPAXQHLLBXSFP-UHFFFAOYSA-N
XLogP0.36
TPSA100.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
2,6-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64516867
3,4,5-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511269
2-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)quinoline-4-carboxamide
CID 64518344
3-bromo-5-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103827070
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512231
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510575
5-amino-2-fluoro-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 103296536
5-amino-2,3-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 107185300
5-amino-2-(dimethylamino)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512131
N,3-dimethyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512232

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide (CID 113379111) is 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ncn[nH]2)cc(N)n1.
What is the InChIKey of 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is QNPAXQHLLBXSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7-3-8(4-9(12)15-7)11(18)17(2)5-10-13-6-14-16-10/h3-4,6H,5H2,1-2H3,(H2,12,15)(H,13,14,16).
What are the key properties of 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide?
2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 113379111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).