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

C16H23N3O2 — CID 82208301

IUPAC[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
SMILESCOc1ccc(Cc2c(CO)nnn2CCC(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)8-9-19-16(15(11-20)17-18-19)10-13-4-6-14(21-3)7-5-13/h4-7,12,20H,8-11H2,1-3H3
InChIKeyWGKFNGJCJBCKFY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.42
Rot. Bonds7

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

[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol (PubChem CID 82208301) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
PubChem CID82208301
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
SMILESCOc1ccc(Cc2c(CO)nnn2CCC(C)C)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)8-9-19-16(15(11-20)17-18-19)10-13-4-6-14(21-3)7-5-13/h4-7,12,20H,8-11H2,1-3H3
InChIKeyWGKFNGJCJBCKFY-UHFFFAOYSA-N
XLogP2.42
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-methoxyphenyl)methyl]-1-pentyltriazol-4-yl]methanamine
CID 82205856
[5-[(4-fluorophenyl)methyl]-1-propyltriazol-4-yl]methanol
CID 82204986
[5-[(4-ethylphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208719
5-[(3,4-dimethoxyphenyl)methyl]-1-(3-methylbutyl)triazole-4-carbaldehyde
CID 94944762
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364
[1-(3-methylbutyl)-5-propan-2-yltriazol-4-yl]methanol
CID 82208217
2-[4-(aminomethyl)-5-[(4-methoxyphenyl)methyl]triazol-1-yl]acetonitrile
CID 82206661
[5-benzyl-1-(3-phenylpropyl)triazol-4-yl]methanol
CID 94944856
5-[(4-methoxyphenyl)methyl]-1-propyltriazole-4-carbonitrile
CID 82204993
[5-[(4-ethoxyphenoxy)methyl]-1-(2-methylpropyl)triazol-4-yl]methanol
CID 82208710
1-(3-carboxypropyl)-5-[(4-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 94946448
[5-(4-chlorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208326

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol?
The IUPAC name of [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol (CID 82208301) is [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol?
The canonical SMILES for [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol is COc1ccc(Cc2c(CO)nnn2CCC(C)C)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol?
The InChIKey is WGKFNGJCJBCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)8-9-19-16(15(11-20)17-18-19)10-13-4-6-14(21-3)7-5-13/h4-7,12,20H,8-11H2,1-3H3.
What are the key properties of [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol?
[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol has a molecular weight of 289.38 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol is sourced from PubChem (CID 82208301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).