2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile

C13H16N6 — CID 162628237

IUPAC2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1nc(CCNc2cc(C)c(C#N)c(C)n2)n[nH]1
InChIInChI=1S/C13H16N6/c1-8-6-13(16-9(2)11(8)7-14)15-5-4-12-17-10(3)18-19-12/h6H,4-5H2,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyOHZIHLSCHPLAEP-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.65
Rot. Bonds4

About 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile

2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 162628237) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID162628237
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1nc(CCNc2cc(C)c(C#N)c(C)n2)n[nH]1
InChIInChI=1S/C13H16N6/c1-8-6-13(16-9(2)11(8)7-14)15-5-4-12-17-10(3)18-19-12/h6H,4-5H2,1-3H3,(H,15,16)(H,17,18,19)
InChIKeyOHZIHLSCHPLAEP-UHFFFAOYSA-N
XLogP1.65
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Topiroxostat
CID 5288320
AZ-960
CID 25099184
4-(3-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-5-yl)picolinonitrile
CID 22032892
5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
CID 56965903
[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
CID 23624249
(4,6-Dimethyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-piperidin-1-yl-diazene
CID 700515
1-cyano-3-[[3-[2-(ethylamino)-4-pyridinyl]-1H-1,2,4-triazol-5-yl]methyl]-2-methylguanidine
CID 13676556
5-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile
CID 46882174
2-(2-hydroxyethylamino)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 54580622
2-(6-hydroxyhexylamino)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 54581629
2-(6-hydroxy-6-methylheptylamino)-4-methyl-6-(5-methyl-1H-pyrazol-3-ylamino)nicotinonitrile
CID 54586639
3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(2-dimethylaminoethylamino)pyrimidin-2-yl]benzonitrile
CID 70693805

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile (CID 162628237) is 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile is Cc1nc(CCNc2cc(C)c(C#N)c(C)n2)n[nH]1.
What is the InChIKey of 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is OHZIHLSCHPLAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-8-6-13(16-9(2)11(8)7-14)15-5-4-12-17-10(3)18-19-12/h6H,4-5H2,1-3H3,(H,15,16)(H,17,18,19).
What are the key properties of 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 162628237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).