[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol

C13H15Cl2N3O — CID 82208626

IUPAC[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
SMILESCC(C)Cn1nnc(CO)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-8(2)6-18-13(12(7-19)16-17-18)9-3-4-10(14)11(15)5-9/h3-5,8,19H,6-7H2,1-2H3
InChIKeyGXHBPGNUMNTLJF-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.40
Rot. Bonds4

About [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol

[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol (PubChem CID 82208626) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
PubChem CID82208626
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
SMILESCC(C)Cn1nnc(CO)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-8(2)6-18-13(12(7-19)16-17-18)9-3-4-10(14)11(15)5-9/h3-5,8,19H,6-7H2,1-2H3
InChIKeyGXHBPGNUMNTLJF-UHFFFAOYSA-N
XLogP3.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 94944799
[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol
CID 82206876
[1-butyl-5-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82205346
[5-(3-methoxyphenyl)-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208617
[1-(2-methylpropyl)-5-pyridin-3-yltriazol-4-yl]methanol
CID 82208683
[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208326
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 82208795
3-[5-(3-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210298
[5-(3-bromophenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 94944816
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
[5-(3-chlorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210758
[1-(2-methylpropyl)-5-propyltriazol-4-yl]methanol
CID 82208557

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
The IUPAC name of [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol (CID 82208626) is [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol is CC(C)Cn1nnc(CO)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
The InChIKey is GXHBPGNUMNTLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-8(2)6-18-13(12(7-19)16-17-18)9-3-4-10(14)11(15)5-9/h3-5,8,19H,6-7H2,1-2H3.
What are the key properties of [5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol?
[5-(3,4-dichlorophenyl)-1-(2-methylpropyl)triazol-4-yl]methanol has a molecular weight of 300.19 g/mol, XLogP of 3.40, 4 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-(2-methylpropyl)triazol-4-yl]methanol is sourced from PubChem (CID 82208626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).