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

C13H16N6 — CID 81061348

IUPAC2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NC(C)c2nncn2C)c(C#N)c(C)n1
InChIInChI=1S/C13H16N6/c1-8-5-12(11(6-14)9(2)16-8)17-10(3)13-18-15-7-19(13)4/h5,7,10H,1-4H3,(H,16,17)
InChIKeySAIRPJANBLNBFG-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.87
Rot. Bonds3

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

2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 81061348) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID81061348
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NC(C)c2nncn2C)c(C#N)c(C)n1
InChIInChI=1S/C13H16N6/c1-8-5-12(11(6-14)9(2)16-8)17-10(3)13-18-15-7-19(13)4/h5,7,10H,1-4H3,(H,16,17)
InChIKeySAIRPJANBLNBFG-UHFFFAOYSA-N
XLogP1.87
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile (CID 81061348) is 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile is Cc1cc(NC(C)c2nncn2C)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is SAIRPJANBLNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-8-5-12(11(6-14)9(2)16-8)17-10(3)13-18-15-7-19(13)4/h5,7,10H,1-4H3,(H,16,17).
What are the key properties of 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 81061348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).