[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol

C14H18ClN3O — CID 82208326

IUPAC[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
SMILESCC(C)CCn1nnc(CO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-10(2)7-8-18-14(13(9-19)16-17-18)11-3-5-12(15)6-4-11/h3-6,10,19H,7-9H2,1-2H3
InChIKeyNFERTLAOLJBSSV-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.14
Rot. Bonds5

About [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol

[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol (PubChem CID 82208326) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
PubChem CID82208326
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
SMILESCC(C)CCn1nnc(CO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-10(2)7-8-18-14(13(9-19)16-17-18)11-3-5-12(15)6-4-11/h3-6,10,19H,7-9H2,1-2H3
InChIKeyNFERTLAOLJBSSV-UHFFFAOYSA-N
XLogP3.14
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.14
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-(2-methylpropyl)triazol-4-yl]methanol
CID 82208626
[5-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]triazol-4-yl]methanol
CID 94943324
[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82208441
[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82208217
2-[5-(4-chlorophenyl)-4-(hydroxymethyl)triazol-1-yl]-N-propylacetamide
CID 94946279
[5-(4-methylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205678
[1-butyl-5-(3,4-dichlorophenyl)triazol-4-yl]methanol
CID 82205346
[5-(4-fluorophenyl)-1-heptyltriazol-4-yl]methanol
CID 82208048
[5-(4-tert-butylphenyl)-1-pentyltriazol-4-yl]methanol
CID 82205705
[1-[(2-chlorophenyl)methyl]-5-(4-methylphenyl)triazol-4-yl]methanol
CID 94943250
5-(4-fluorophenyl)-1-(3-methylbutyl)triazole-4-carboxylic acid
CID 82208170

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol?
The IUPAC name of [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol (CID 82208326) is [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol?
The canonical SMILES for [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol is CC(C)CCn1nnc(CO)c1-c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol?
The InChIKey is NFERTLAOLJBSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10(2)7-8-18-14(13(9-19)16-17-18)11-3-5-12(15)6-4-11/h3-6,10,19H,7-9H2,1-2H3.
What are the key properties of [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol?
[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol has a molecular weight of 279.77 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol is sourced from PubChem (CID 82208326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).