4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol

C12H15ClN6O — CID 62869369

IUPAC4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-8-2-4-9(20)5-3-8)18-12(17-10)19-7-1-6-14-19/h1,6-9,20H,2-5H2,(H,15,16,17,18)
InChIKeyMIBONTFJODZQRH-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.43
Rot. Bonds3

About 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol

4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (PubChem CID 62869369) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
PubChem CID62869369
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Cl)nc(-n3cccn3)n2)CC1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-8-2-4-9(20)5-3-8)18-12(17-10)19-7-1-6-14-19/h1,6-9,20H,2-5H2,(H,15,16,17,18)
InChIKeyMIBONTFJODZQRH-UHFFFAOYSA-N
XLogP1.43
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol 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-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (CID 62869369) is 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Cl)nc(-n3cccn3)n2)CC1.
What is the InChIKey of 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is MIBONTFJODZQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c13-10-16-11(15-8-2-4-9(20)5-3-8)18-12(17-10)19-7-1-6-14-19/h1,6-9,20H,2-5H2,(H,15,16,17,18).
What are the key properties of 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 294.75 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 62869369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).