(E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol

C14H15N3O — CID 70498711

IUPAC(E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol
SMILESOC(/C=C/n1ncc(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C14H15N3O/c18-14(12-6-7-12)8-9-17-15-10-13(16-17)11-4-2-1-3-5-11/h1-5,8-10,12,14,18H,6-7H2/b9-8+
InChIKeyIBLWLNSIWPNCNX-CMDGGOBGSA-N
MW241.29 g/mol
LogP2.19
Rot. Bonds4

About (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol

(E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol (PubChem CID 70498711) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol
PubChem CID70498711
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol
SMILESOC(/C=C/n1ncc(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C14H15N3O/c18-14(12-6-7-12)8-9-17-15-10-13(16-17)11-4-2-1-3-5-11/h1-5,8-10,12,14,18H,6-7H2/b9-8+
InChIKeyIBLWLNSIWPNCNX-CMDGGOBGSA-N
XLogP2.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol?
The IUPAC name of (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol (CID 70498711) is (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol is OC(/C=C/n1ncc(-c2ccccc2)n1)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol?
The InChIKey is IBLWLNSIWPNCNX-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(12-6-7-12)8-9-17-15-10-13(16-17)11-4-2-1-3-5-11/h1-5,8-10,12,14,18H,6-7H2/b9-8+.
What are the key properties of (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol?
(E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol has a molecular weight of 241.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-3-(4-phenyltriazol-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 70498711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).