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

C13H17ClN6O — CID 62865044

IUPAC[1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)nc(-n3cccn3)n2)CCCCC1
InChIInChI=1S/C13H17ClN6O/c14-10-16-11(18-12(17-10)20-8-4-7-15-20)19-13(9-21)5-2-1-3-6-13/h4,7-8,21H,1-3,5-6,9H2,(H,16,17,18,19)
InChIKeyALHAYJURPJOJNX-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.82
Rot. Bonds4

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

[1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol (PubChem CID 62865044) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
PubChem CID62865044
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name[1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol
SMILESOCC1(Nc2nc(Cl)nc(-n3cccn3)n2)CCCCC1
InChIInChI=1S/C13H17ClN6O/c14-10-16-11(18-12(17-10)20-8-4-7-15-20)19-13(9-21)5-2-1-3-6-13/h4,7-8,21H,1-3,5-6,9H2,(H,16,17,18,19)
InChIKeyALHAYJURPJOJNX-UHFFFAOYSA-N
XLogP1.82
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol (CID 62865044) is [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol is OCC1(Nc2nc(Cl)nc(-n3cccn3)n2)CCCCC1.
What is the InChIKey of [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is ALHAYJURPJOJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c14-10-16-11(18-12(17-10)20-8-4-7-15-20)19-13(9-21)5-2-1-3-6-13/h4,7-8,21H,1-3,5-6,9H2,(H,16,17,18,19).
What are the key properties of [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol?
[1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 308.77 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62865044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).