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

C12H15ClN6O — CID 62864699

IUPAC2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-8-4-1-2-5-9(8)20)18-12(17-10)19-7-3-6-14-19/h3,6-9,20H,1-2,4-5H2,(H,15,16,17,18)
InChIKeyHNHPMQHDOUEKQS-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.43
Rot. Bonds3

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

2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (PubChem CID 62864699) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
PubChem CID62864699
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-8-4-1-2-5-9(8)20)18-12(17-10)19-7-3-6-14-19/h3,6-9,20H,1-2,4-5H2,(H,15,16,17,18)
InChIKeyHNHPMQHDOUEKQS-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (CID 62864699) is 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is HNHPMQHDOUEKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c13-10-16-11(15-8-4-1-2-5-9(8)20)18-12(17-10)19-7-3-6-14-19/h3,6-9,20H,1-2,4-5H2,(H,15,16,17,18).
What are the key properties of 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
2-[(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 2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 62864699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).