4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C13H17ClN6 — CID 62863331

IUPAC4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCCC(Nc2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H17ClN6/c1-9-4-2-5-10(8-9)16-12-17-11(14)18-13(19-12)20-7-3-6-15-20/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,16,17,18,19)
InChIKeyUYEIYUZONKHDLK-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.70
Rot. Bonds3

About 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62863331) has the molecular formula C13H17ClN6 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62863331
Molecular FormulaC13H17ClN6
Molecular Weight292.77 g/mol
Exact Mass292.12
IUPAC Name4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1CCCC(Nc2nc(Cl)nc(-n3cccn3)n2)C1
InChIInChI=1S/C13H17ClN6/c1-9-4-2-5-10(8-9)16-12-17-11(14)18-13(19-12)20-7-3-6-15-20/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,16,17,18,19)
InChIKeyUYEIYUZONKHDLK-UHFFFAOYSA-N
XLogP2.70
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine 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-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62863331) is 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC1CCCC(Nc2nc(Cl)nc(-n3cccn3)n2)C1.
What is the InChIKey of 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is UYEIYUZONKHDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6/c1-9-4-2-5-10(8-9)16-12-17-11(14)18-13(19-12)20-7-3-6-15-20/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylcyclohexyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).