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

C12H14N6 — CID 81052464

IUPAC2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCc2ncn[nH]2)c(C#N)c(C)n1
InChIInChI=1S/C12H14N6/c1-8-5-11(10(6-13)9(2)17-8)14-4-3-12-15-7-16-18-12/h5,7H,3-4H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyTVUNBYBFZNIYJA-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.34
Rot. Bonds4

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

2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 81052464) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID81052464
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(NCCc2ncn[nH]2)c(C#N)c(C)n1
InChIInChI=1S/C12H14N6/c1-8-5-11(10(6-13)9(2)17-8)14-4-3-12-15-7-16-18-12/h5,7H,3-4H2,1-2H3,(H,14,17)(H,15,16,18)
InChIKeyTVUNBYBFZNIYJA-UHFFFAOYSA-N
XLogP1.34
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81061197
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-4-amine
CID 64530668
4,6-dimethyl-2-(1H-1,2,4-triazol-5-ylmethylamino)pyridine-3-carbonitrile
CID 54884747
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile (CID 81052464) is 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile is Cc1cc(NCCc2ncn[nH]2)c(C#N)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is TVUNBYBFZNIYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-8-5-11(10(6-13)9(2)17-8)14-4-3-12-15-7-16-18-12/h5,7H,3-4H2,1-2H3,(H,14,17)(H,15,16,18).
What are the key properties of 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile?
2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 242.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(1H-1,2,4-triazol-5-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 81052464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).