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

C14H18ClN5O — CID 64730658

IUPAC2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine
SMILESCC1CC(C)CC(Oc2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C14H18ClN5O/c1-9-5-10(2)7-11(6-9)21-14-18-12(15)17-13(19-14)20-4-3-16-8-20/h3-4,8-11H,5-7H2,1-2H3
InChIKeyWZUIOCIFIPYOBO-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.91
Rot. Bonds3

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

2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 64730658) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine
PubChem CID64730658
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine
SMILESCC1CC(C)CC(Oc2nc(Cl)nc(-n3ccnc3)n2)C1
InChIInChI=1S/C14H18ClN5O/c1-9-5-10(2)7-11(6-9)21-14-18-12(15)17-13(19-14)20-4-3-16-8-20/h3-4,8-11H,5-7H2,1-2H3
InChIKeyWZUIOCIFIPYOBO-UHFFFAOYSA-N
XLogP2.91
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine (CID 64730658) is 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine is CC1CC(C)CC(Oc2nc(Cl)nc(-n3ccnc3)n2)C1.
What is the InChIKey of 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is WZUIOCIFIPYOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-9-5-10(2)7-11(6-9)21-14-18-12(15)17-13(19-14)20-4-3-16-8-20/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 307.79 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-dimethylcyclohexyl)oxy-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 64730658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).