[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol

C10H9Cl2N3O — CID 65318810

IUPAC[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C10H9Cl2N3O/c11-8-1-2-10(12)7(3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyZVNAOPQJZYSNMI-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.13
Rot. Bonds3

About [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol

[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 65318810) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
PubChem CID65318810
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C10H9Cl2N3O/c11-8-1-2-10(12)7(3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyZVNAOPQJZYSNMI-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol (CID 65318810) is [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is ZVNAOPQJZYSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-8-1-2-10(12)7(3-8)4-15-5-9(6-16)13-14-15/h1-3,5,16H,4,6H2.
What are the key properties of [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol?
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol has a molecular weight of 258.11 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 65318810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).