3-(3-benzyltriazol-4-yl)propan-1-ol

C12H15N3O — CID 178053444

IUPAC3-(3-benzyltriazol-4-yl)propan-1-ol
SMILESOCCCc1cnnn1Cc1ccccc1
InChIInChI=1S/C12H15N3O/c16-8-4-7-12-9-13-14-15(12)10-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2
InChIKeyGCPLFWFBPRXMNE-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.25
Rot. Bonds5

About 3-(3-benzyltriazol-4-yl)propan-1-ol

3-(3-benzyltriazol-4-yl)propan-1-ol (PubChem CID 178053444) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-(3-benzyltriazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-benzyltriazol-4-yl)propan-1-ol
PubChem CID178053444
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-(3-benzyltriazol-4-yl)propan-1-ol
SMILESOCCCc1cnnn1Cc1ccccc1
InChIInChI=1S/C12H15N3O/c16-8-4-7-12-9-13-14-15(12)10-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2
InChIKeyGCPLFWFBPRXMNE-UHFFFAOYSA-N
XLogP1.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzyltriazol-4-yl)propan-1-ol?
The IUPAC name of 3-(3-benzyltriazol-4-yl)propan-1-ol (CID 178053444) is 3-(3-benzyltriazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3-benzyltriazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(3-benzyltriazol-4-yl)propan-1-ol is OCCCc1cnnn1Cc1ccccc1.
What is the InChIKey of 3-(3-benzyltriazol-4-yl)propan-1-ol?
The InChIKey is GCPLFWFBPRXMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-8-4-7-12-9-13-14-15(12)10-11-5-2-1-3-6-11/h1-3,5-6,9,16H,4,7-8,10H2.
What are the key properties of 3-(3-benzyltriazol-4-yl)propan-1-ol?
3-(3-benzyltriazol-4-yl)propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzyltriazol-4-yl)propan-1-ol is sourced from PubChem (CID 178053444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).