1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol

C12H13N3O — CID 117306787

IUPAC1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccccc2-n2nccn2)CC1
InChIInChI=1S/C12H13N3O/c16-12(5-6-12)9-10-3-1-2-4-11(10)15-13-7-8-14-15/h1-4,7-8,16H,5-6,9H2
InChIKeyJQNATEWUMZFRDV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.33
Rot. Bonds3

About 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol

1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117306787) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117306787
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccccc2-n2nccn2)CC1
InChIInChI=1S/C12H13N3O/c16-12(5-6-12)9-10-3-1-2-4-11(10)15-13-7-8-14-15/h1-4,7-8,16H,5-6,9H2
InChIKeyJQNATEWUMZFRDV-UHFFFAOYSA-N
XLogP1.33
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol (CID 117306787) is 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol is OC1(Cc2ccccc2-n2nccn2)CC1.
What is the InChIKey of 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is JQNATEWUMZFRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12(5-6-12)9-10-3-1-2-4-11(10)15-13-7-8-14-15/h1-4,7-8,16H,5-6,9H2.
What are the key properties of 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 215.26 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117306787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).