[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol

C10H9Cl2N3O — CID 107309596

IUPAC[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C10H9Cl2N3O/c11-9-3-1-2-7(10(9)12)4-15-5-8(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyJKECEKAJAUVDSM-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.13
Rot. Bonds3

About [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol

[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol (PubChem CID 107309596) has the molecular formula C10H9Cl2N3O and a molecular weight of 258.11 g/mol. Its IUPAC name is [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
PubChem CID107309596
Molecular FormulaC10H9Cl2N3O
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol
SMILESOCc1cn(Cc2cccc(Cl)c2Cl)nn1
InChIInChI=1S/C10H9Cl2N3O/c11-9-3-1-2-7(10(9)12)4-15-5-8(6-16)13-14-15/h1-3,5,16H,4,6H2
InChIKeyJKECEKAJAUVDSM-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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Related Compounds

5-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]pentanoic acid
CID 107309540
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 65318810
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
2-[1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]propan-2-ol
CID 107309599
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanol
CID 62400932
4-(2-bromoethyl)-1-[(2-chlorophenyl)methyl]triazole
CID 62393715
[1-(pyridin-4-ylmethyl)triazol-4-yl]methanol
CID 62402022
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
[1-(1-benzothiophen-3-ylmethyl)triazol-4-yl]methanol
CID 63737092
[1-[(2,5-difluorophenyl)methyl]triazol-4-yl]methanol
CID 62399428
[1-[(3-methylphenyl)methyl]triazol-4-yl]methanol
CID 24786458

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol (CID 107309596) is [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol is OCc1cn(Cc2cccc(Cl)c2Cl)nn1.
What is the InChIKey of [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol?
The InChIKey is JKECEKAJAUVDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3O/c11-9-3-1-2-7(10(9)12)4-15-5-8(6-16)13-14-15/h1-3,5,16H,4,6H2.
What are the key properties of [1-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol?
[1-[(2,3-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-[(2,3-dichlorophenyl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 107309596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).