[3-(3,4-dichlorophenyl)triazol-4-yl]methanol

C9H7Cl2N3O — CID 82195618

IUPAC[3-(3,4-dichlorophenyl)triazol-4-yl]methanol
SMILESOCc1cnnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2N3O/c10-8-2-1-6(3-9(8)11)14-7(5-15)4-12-13-14/h1-4,15H,5H2
InChIKeyQOJDCCCFQIYBMW-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.07
Rot. Bonds2

About [3-(3,4-dichlorophenyl)triazol-4-yl]methanol

[3-(3,4-dichlorophenyl)triazol-4-yl]methanol (PubChem CID 82195618) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is [3-(3,4-dichlorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3,4-dichlorophenyl)triazol-4-yl]methanol
PubChem CID82195618
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name[3-(3,4-dichlorophenyl)triazol-4-yl]methanol
SMILESOCc1cnnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H7Cl2N3O/c10-8-2-1-6(3-9(8)11)14-7(5-15)4-12-13-14/h1-4,15H,5H2
InChIKeyQOJDCCCFQIYBMW-UHFFFAOYSA-N
XLogP2.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenyl)triazol-4-yl]methanol?
The IUPAC name of [3-(3,4-dichlorophenyl)triazol-4-yl]methanol (CID 82195618) is [3-(3,4-dichlorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [3-(3,4-dichlorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [3-(3,4-dichlorophenyl)triazol-4-yl]methanol is OCc1cnnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [3-(3,4-dichlorophenyl)triazol-4-yl]methanol?
The InChIKey is QOJDCCCFQIYBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-8-2-1-6(3-9(8)11)14-7(5-15)4-12-13-14/h1-4,15H,5H2.
What are the key properties of [3-(3,4-dichlorophenyl)triazol-4-yl]methanol?
[3-(3,4-dichlorophenyl)triazol-4-yl]methanol has a molecular weight of 244.08 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82195618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).