[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol

C13H15Cl2N3O — CID 82204190

IUPAC[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-2-3-13-12(8-19)16-17-18(13)7-9-4-5-10(14)11(15)6-9/h4-6,19H,2-3,7-8H2,1H3
InChIKeyUXSDLXIWLLGCJZ-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.08
Rot. Bonds5

About [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol

[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol (PubChem CID 82204190) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
PubChem CID82204190
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol
SMILESCCCc1c(CO)nnn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-2-3-13-12(8-19)16-17-18(13)7-9-4-5-10(14)11(15)6-9/h4-6,19H,2-3,7-8H2,1H3
InChIKeyUXSDLXIWLLGCJZ-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol?
The IUPAC name of [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol (CID 82204190) is [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol?
The canonical SMILES for [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol is CCCc1c(CO)nnn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol?
The InChIKey is UXSDLXIWLLGCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-2-3-13-12(8-19)16-17-18(13)7-9-4-5-10(14)11(15)6-9/h4-6,19H,2-3,7-8H2,1H3.
What are the key properties of [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol?
[1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol has a molecular weight of 300.19 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,4-dichlorophenyl)methyl]-5-propyltriazol-4-yl]methanol is sourced from PubChem (CID 82204190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).