(2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol

C15H20ClN3O — CID 142678442

IUPAC(2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
SMILESOC(C1=NNCN1C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c16-13-9-5-4-8-12(13)14(20)15-18-17-10-19(15)11-6-2-1-3-7-11/h4-5,8-9,11,14,17,20H,1-3,6-7,10H2
InChIKeyOHCBXDGUPJJELW-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.88
Rot. Bonds3

About (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol

(2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol (PubChem CID 142678442) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
PubChem CID142678442
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name(2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
SMILESOC(C1=NNCN1C1CCCCC1)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c16-13-9-5-4-8-12(13)14(20)15-18-17-10-19(15)11-6-2-1-3-7-11/h4-5,8-9,11,14,17,20H,1-3,6-7,10H2
InChIKeyOHCBXDGUPJJELW-UHFFFAOYSA-N
XLogP2.88
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol (CID 142678442) is (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol is OC(C1=NNCN1C1CCCCC1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The InChIKey is OHCBXDGUPJJELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c16-13-9-5-4-8-12(13)14(20)15-18-17-10-19(15)11-6-2-1-3-7-11/h4-5,8-9,11,14,17,20H,1-3,6-7,10H2.
What are the key properties of (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
(2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol has a molecular weight of 293.80 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-cyclohexyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 142678442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).