[2-(4-butyltriazol-1-yl)phenyl]methanol

C13H17N3O — CID 164667906

IUPAC[2-(4-butyltriazol-1-yl)phenyl]methanol
SMILESCCCCc1cn(-c2ccccc2CO)nn1
InChIInChI=1S/C13H17N3O/c1-2-3-7-12-9-16(15-14-12)13-8-5-4-6-11(13)10-17/h4-6,8-9,17H,2-3,7,10H2,1H3
InChIKeyQSUVEOXYGYFAKF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds5

About [2-(4-butyltriazol-1-yl)phenyl]methanol

[2-(4-butyltriazol-1-yl)phenyl]methanol (PubChem CID 164667906) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-(4-butyltriazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-butyltriazol-1-yl)phenyl]methanol
PubChem CID164667906
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-(4-butyltriazol-1-yl)phenyl]methanol
SMILESCCCCc1cn(-c2ccccc2CO)nn1
InChIInChI=1S/C13H17N3O/c1-2-3-7-12-9-16(15-14-12)13-8-5-4-6-11(13)10-17/h4-6,8-9,17H,2-3,7,10H2,1H3
InChIKeyQSUVEOXYGYFAKF-UHFFFAOYSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-butyltriazol-1-yl)phenyl]methanol?
The IUPAC name of [2-(4-butyltriazol-1-yl)phenyl]methanol (CID 164667906) is [2-(4-butyltriazol-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(4-butyltriazol-1-yl)phenyl]methanol?
The canonical SMILES for [2-(4-butyltriazol-1-yl)phenyl]methanol is CCCCc1cn(-c2ccccc2CO)nn1.
What is the InChIKey of [2-(4-butyltriazol-1-yl)phenyl]methanol?
The InChIKey is QSUVEOXYGYFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-3-7-12-9-16(15-14-12)13-8-5-4-6-11(13)10-17/h4-6,8-9,17H,2-3,7,10H2,1H3.
What are the key properties of [2-(4-butyltriazol-1-yl)phenyl]methanol?
[2-(4-butyltriazol-1-yl)phenyl]methanol has a molecular weight of 231.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butyltriazol-1-yl)phenyl]methanol is sourced from PubChem (CID 164667906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).