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

C13H17ClN6O — CID 65108921

IUPAC1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCCCC1
InChIInChI=1S/C13H17ClN6O/c14-10-17-11(16-8-13(21)4-2-1-3-5-13)19-12(18-10)20-7-6-15-9-20/h6-7,9,21H,1-5,8H2,(H,16,17,18,19)
InChIKeyJZRYONJVGWCCPX-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.82
Rot. Bonds4

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

1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65108921) has the molecular formula C13H17ClN6O and a molecular weight of 308.77 g/mol. Its IUPAC name is 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID65108921
Molecular FormulaC13H17ClN6O
Molecular Weight308.77 g/mol
Exact Mass308.12
IUPAC Name1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCCCC1
InChIInChI=1S/C13H17ClN6O/c14-10-17-11(16-8-13(21)4-2-1-3-5-13)19-12(18-10)20-7-6-15-9-20/h6-7,9,21H,1-5,8H2,(H,16,17,18,19)
InChIKeyJZRYONJVGWCCPX-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-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol (CID 65108921) is 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is OC1(CNc2nc(Cl)nc(-n3ccnc3)n2)CCCCC1.
What is the InChIKey of 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is JZRYONJVGWCCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN6O/c14-10-17-11(16-8-13(21)4-2-1-3-5-13)19-12(18-10)20-7-6-15-9-20/h6-7,9,21H,1-5,8H2,(H,16,17,18,19).
What are the key properties of 1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol 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-imidazol-1-yl-1,3,5-triazin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65108921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).