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

C12H15ClN6O — CID 62864858

IUPAC2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-8-3-1-2-4-9(8)20)18-12(17-10)19-6-5-14-7-19/h5-9,20H,1-4H2,(H,15,16,17,18)
InChIKeyPZAYSPIIKIVBLD-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.43
Rot. Bonds3

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

2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (PubChem CID 62864858) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
PubChem CID62864858
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c13-10-16-11(15-8-3-1-2-4-9(8)20)18-12(17-10)19-6-5-14-7-19/h5-9,20H,1-4H2,(H,15,16,17,18)
InChIKeyPZAYSPIIKIVBLD-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 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 62870066
4-chloro-6-imidazol-1-yl-N-(oxan-4-yl)-1,3,5-triazin-2-amine
CID 62863362
3-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114630373
3-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 106137217
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 65108921
4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
3-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]cyclobutan-1-ol
CID 80855550
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
4-chloro-6-imidazol-1-yl-N-(2-piperidin-1-ylethyl)-1,3,5-triazin-2-amine
CID 62864635
N-cyclobutyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80918567

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol (CID 62864858) is 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is OC1CCCCC1Nc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is PZAYSPIIKIVBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c13-10-16-11(15-8-3-1-2-4-9(8)20)18-12(17-10)19-6-5-14-7-19/h5-9,20H,1-4H2,(H,15,16,17,18).
What are the key properties of 2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol?
2-[(4-chloro-6-imidazol-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-imidazol-1-yl-1,3,5-triazin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 62864858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).