2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine

C13H20ClN3O2 — CID 62869608

IUPAC2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
SMILESCC1CCCC(Oc2nc(Cl)nc(OC(C)C)n2)C1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyLIBGOANUXXJXGB-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.27
Rot. Bonds4

About 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62869608) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62869608
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine
SMILESCC1CCCC(Oc2nc(Cl)nc(OC(C)C)n2)C1
InChIInChI=1S/C13H20ClN3O2/c1-8(2)18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3
InChIKeyLIBGOANUXXJXGB-UHFFFAOYSA-N
XLogP3.27
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine (CID 62869608) is 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine is CC1CCCC(Oc2nc(Cl)nc(OC(C)C)n2)C1.
What is the InChIKey of 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is LIBGOANUXXJXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(2)18-12-15-11(14)16-13(17-12)19-10-6-4-5-9(3)7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 285.77 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylcyclohexyl)oxy-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62869608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).