[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol

C15H21N3O — CID 82195788

IUPAC[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1-c1cc(C)ccc1C
InChIInChI=1S/C15H21N3O/c1-4-5-6-14-13(10-19)16-17-18(14)15-9-11(2)7-8-12(15)3/h7-9,19H,4-6,10H2,1-3H3
InChIKeyXRTPMMHFWJUEND-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds5

About [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol

[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol (PubChem CID 82195788) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
PubChem CID82195788
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol
SMILESCCCCc1c(CO)nnn1-c1cc(C)ccc1C
InChIInChI=1S/C15H21N3O/c1-4-5-6-14-13(10-19)16-17-18(14)15-9-11(2)7-8-12(15)3/h7-9,19H,4-6,10H2,1-3H3
InChIKeyXRTPMMHFWJUEND-UHFFFAOYSA-N
XLogP2.72
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dimethylphenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 82195856
[1-(2,5-dimethylphenyl)-5-propyltriazol-4-yl]methanamine
CID 82195870
5-butyl-1-(2,5-dimethylphenyl)triazole-4-carbaldehyde
CID 82195790
[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 82196453
[1-(2,4-dimethylphenyl)-5-(2-phenylethyl)triazol-4-yl]methanol
CID 94938536
[5-butyl-1-(4-fluorophenyl)triazol-4-yl]methanol
CID 82196737
[5-butyl-1-(2-methyl-5-nitrophenyl)triazol-4-yl]methanamine
CID 82197730
[5-butyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanol
CID 82221452
[1-(4-chloro-2-methoxy-5-methylphenyl)-5-propyltriazol-4-yl]methanol
CID 82197565
methyl 3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]benzoate
CID 82200548
[5-benzyl-1-(5-chloro-2-methylphenyl)triazol-4-yl]methanol
CID 94937113
[1-(2,4-dimethoxyphenyl)-5-propyltriazol-4-yl]methanol
CID 82197872

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol?
The IUPAC name of [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol (CID 82195788) is [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol?
The canonical SMILES for [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol is CCCCc1c(CO)nnn1-c1cc(C)ccc1C.
What is the InChIKey of [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol?
The InChIKey is XRTPMMHFWJUEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-6-14-13(10-19)16-17-18(14)15-9-11(2)7-8-12(15)3/h7-9,19H,4-6,10H2,1-3H3.
What are the key properties of [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol?
[5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol has a molecular weight of 259.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-(2,5-dimethylphenyl)triazol-4-yl]methanol is sourced from PubChem (CID 82195788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).