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

C15H20N6 — CID 75385736

IUPAC4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCn2cnnc2C(C)C)n1
InChIInChI=1S/C15H20N6/c1-10(2)15-20-18-9-21(15)6-5-17-14-13(8-16)11(3)7-12(4)19-14/h7,9-10H,5-6H2,1-4H3,(H,17,19)
InChIKeyZETKTMANONSIKX-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.40
Rot. Bonds5

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

4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 75385736) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID75385736
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NCCn2cnnc2C(C)C)n1
InChIInChI=1S/C15H20N6/c1-10(2)15-20-18-9-21(15)6-5-17-14-13(8-16)11(3)7-12(4)19-14/h7,9-10H,5-6H2,1-4H3,(H,17,19)
InChIKeyZETKTMANONSIKX-UHFFFAOYSA-N
XLogP2.40
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-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

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile (CID 75385736) is 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NCCn2cnnc2C(C)C)n1.
What is the InChIKey of 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is ZETKTMANONSIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-10(2)15-20-18-9-21(15)6-5-17-14-13(8-16)11(3)7-12(4)19-14/h7,9-10H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile?
4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 284.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 75385736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).