[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol

C12H13Cl2N3O — CID 82206876

IUPAC[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)n1nnc(CO)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O/c1-7(2)17-12(11(6-18)15-16-17)8-3-4-9(13)10(14)5-8/h3-5,7,18H,6H2,1-2H3
InChIKeyKWUJSXINIRBRJK-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.33
Rot. Bonds3

About [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol

[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol (PubChem CID 82206876) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol
PubChem CID82206876
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol
SMILESCC(C)n1nnc(CO)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O/c1-7(2)17-12(11(6-18)15-16-17)8-3-4-9(13)10(14)5-8/h3-5,7,18H,6H2,1-2H3
InChIKeyKWUJSXINIRBRJK-UHFFFAOYSA-N
XLogP3.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol?
The IUPAC name of [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol (CID 82206876) is [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol?
The canonical SMILES for [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol is CC(C)n1nnc(CO)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol?
The InChIKey is KWUJSXINIRBRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-7(2)17-12(11(6-18)15-16-17)8-3-4-9(13)10(14)5-8/h3-5,7,18H,6H2,1-2H3.
What are the key properties of [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol?
[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol has a molecular weight of 286.16 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82206876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).