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

C17H24ClN3O — CID 142678464

IUPAC(2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
SMILESOC(C1=NNCN1C1CCCCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H24ClN3O/c18-15-11-7-6-10-14(15)16(22)17-20-19-12-21(17)13-8-4-2-1-3-5-9-13/h6-7,10-11,13,16,19,22H,1-5,8-9,12H2
InChIKeyQEWVEAFVKSPWHK-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.66
Rot. Bonds3

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

(2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol (PubChem CID 142678464) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
PubChem CID142678464
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name(2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol
SMILESOC(C1=NNCN1C1CCCCCCC1)c1ccccc1Cl
InChIInChI=1S/C17H24ClN3O/c18-15-11-7-6-10-14(15)16(22)17-20-19-12-21(17)13-8-4-2-1-3-5-9-13/h6-7,10-11,13,16,19,22H,1-5,8-9,12H2
InChIKeyQEWVEAFVKSPWHK-UHFFFAOYSA-N
XLogP3.66
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol (CID 142678464) is (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol is OC(C1=NNCN1C1CCCCCCC1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
The InChIKey is QEWVEAFVKSPWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-15-11-7-6-10-14(15)16(22)17-20-19-12-21(17)13-8-4-2-1-3-5-9-13/h6-7,10-11,13,16,19,22H,1-5,8-9,12H2.
What are the key properties of (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol?
(2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol has a molecular weight of 321.85 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-cyclooctyl-1,5-dihydro-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 142678464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).