3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol

C12H15N3O — CID 115030150

IUPAC3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol
SMILESCc1ccc(-c2cn(CCCO)nn2)cc1
InChIInChI=1S/C12H15N3O/c1-10-3-5-11(6-4-10)12-9-15(14-13-12)7-2-8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyIIXACTFMOXLQCY-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.64
Rot. Bonds4

About 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol

3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol (PubChem CID 115030150) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol
PubChem CID115030150
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol
SMILESCc1ccc(-c2cn(CCCO)nn2)cc1
InChIInChI=1S/C12H15N3O/c1-10-3-5-11(6-4-10)12-9-15(14-13-12)7-2-8-16/h3-6,9,16H,2,7-8H2,1H3
InChIKeyIIXACTFMOXLQCY-UHFFFAOYSA-N
XLogP1.64
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol?
The IUPAC name of 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol (CID 115030150) is 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol is Cc1ccc(-c2cn(CCCO)nn2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol?
The InChIKey is IIXACTFMOXLQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10-3-5-11(6-4-10)12-9-15(14-13-12)7-2-8-16/h3-6,9,16H,2,7-8H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol?
3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)triazol-1-yl]propan-1-ol is sourced from PubChem (CID 115030150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).