1-(2-phenyltriazol-4-yl)cyclopropan-1-ol

C11H11N3O — CID 62668959

IUPAC1-(2-phenyltriazol-4-yl)cyclopropan-1-ol
SMILESOC1(c2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C11H11N3O/c15-11(6-7-11)10-8-12-14(13-10)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2
InChIKeyJMPKPQMMNIXYEZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.25
Rot. Bonds2

About 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol

1-(2-phenyltriazol-4-yl)cyclopropan-1-ol (PubChem CID 62668959) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-phenyltriazol-4-yl)cyclopropan-1-ol
PubChem CID62668959
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(2-phenyltriazol-4-yl)cyclopropan-1-ol
SMILESOC1(c2cnn(-c3ccccc3)n2)CC1
InChIInChI=1S/C11H11N3O/c15-11(6-7-11)10-8-12-14(13-10)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2
InChIKeyJMPKPQMMNIXYEZ-UHFFFAOYSA-N
XLogP1.25
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol?
The IUPAC name of 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol (CID 62668959) is 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol is OC1(c2cnn(-c3ccccc3)n2)CC1.
What is the InChIKey of 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol?
The InChIKey is JMPKPQMMNIXYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c15-11(6-7-11)10-8-12-14(13-10)9-4-2-1-3-5-9/h1-5,8,15H,6-7H2.
What are the key properties of 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol?
1-(2-phenyltriazol-4-yl)cyclopropan-1-ol has a molecular weight of 201.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyltriazol-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 62668959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).