2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine

C13H16ClN5O — CID 62869610

IUPAC2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine
SMILESCC1CCCC(Oc2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C13H16ClN5O/c1-9-3-2-4-10(7-9)20-13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,2-4,7H2,1H3
InChIKeyOWQCCKLHDODVIW-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.67
Rot. Bonds3

About 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine

2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine (PubChem CID 62869610) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine
PubChem CID62869610
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine
SMILESCC1CCCC(Oc2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C13H16ClN5O/c1-9-3-2-4-10(7-9)20-13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,2-4,7H2,1H3
InChIKeyOWQCCKLHDODVIW-UHFFFAOYSA-N
XLogP2.67
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine
CID 64730658
2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
CID 62869608
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 62865097
2-chloro-4-imidazol-1-yl-6-(2-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 55125230
2-chloro-4-imidazol-1-yl-6-(3-methylpyrrolidin-1-yl)-1,3,5-triazine
CID 62865112
4-(4,4-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 114342951
4-imidazol-1-yl-N-methyl-6-(oxan-4-yloxy)-1,3,5-triazin-2-amine
CID 80872070
4-chloro-6-imidazol-1-yl-N-[(4-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 63244419
4-chloro-6-imidazol-1-yl-N-(2-methylcyclohexyl)-1,3,5-triazin-2-amine
CID 62870066
4-imidazol-1-yl-6-(2-methylcyclohexyl)oxy-1,3,5-triazin-2-amine
CID 80858888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine (CID 62869610) is 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine is CC1CCCC(Oc2nc(Cl)nc(-n3ccnc3)n2)C1.
What is the InChIKey of 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine?
The InChIKey is OWQCCKLHDODVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-9-3-2-4-10(7-9)20-13-17-11(14)16-12(18-13)19-6-5-15-8-19/h5-6,8-10H,2-4,7H2,1H3.
What are the key properties of 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine?
2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine has a molecular weight of 293.76 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-imidazol-1-yl-6-(3-methylcyclohexyl)oxy-1,3,5-triazine is sourced from PubChem (CID 62869610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).