[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

C14H19N3O — CID 115395785

IUPAC[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)CCc1nnc(CO)n1-c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(2)8-9-13-15-16-14(10-18)17(13)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3
InChIKeyLMEKTRIYNYOHSL-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds5

About [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395785) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395785
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESCC(C)CCc1nnc(CO)n1-c1ccccc1
InChIInChI=1S/C14H19N3O/c1-11(2)8-9-13-15-16-14(10-18)17(13)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3
InChIKeyLMEKTRIYNYOHSL-UHFFFAOYSA-N
XLogP2.35
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(1-cyclopropylethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 83152356
2-methyl-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 82013823
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395859
[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395849
5-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)pentan-2-amine
CID 82848778
3-(bromomethyl)-4-phenyl-5-propyl-1,2,4-triazole
CID 115398768
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
(5-butyl-4-phenyl-1,2,4-triazol-3-yl)methanamine
CID 112592719
[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395836
3-chloro-4-phenyl-5-propyl-1,2,4-triazole
CID 63384640
3-(chloromethyl)-4-phenyl-5-(2-phenylethyl)-1,2,4-triazole
CID 83968299

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395785) is [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is CC(C)CCc1nnc(CO)n1-c1ccccc1.
What is the InChIKey of [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is LMEKTRIYNYOHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)8-9-13-15-16-14(10-18)17(13)12-6-4-3-5-7-12/h3-7,11,18H,8-10H2,1-2H3.
What are the key properties of [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).