4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol

C13H11N3O — CID 102580185

IUPAC4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol
SMILESOc1ccc(-n2cc(C3C=CC=C3)nn2)cc1
InChIInChI=1S/C13H11N3O/c17-12-7-5-11(6-8-12)16-9-13(14-15-16)10-3-1-2-4-10/h1-10,17H
InChIKeySNMLEIGCAFUIHI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.18
Rot. Bonds2

About 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol

4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol (PubChem CID 102580185) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol
PubChem CID102580185
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol
SMILESOc1ccc(-n2cc(C3C=CC=C3)nn2)cc1
InChIInChI=1S/C13H11N3O/c17-12-7-5-11(6-8-12)16-9-13(14-15-16)10-3-1-2-4-10/h1-10,17H
InChIKeySNMLEIGCAFUIHI-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol?
The IUPAC name of 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol (CID 102580185) is 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol.
What is the SMILES notation for 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol?
The canonical SMILES for 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol is Oc1ccc(-n2cc(C3C=CC=C3)nn2)cc1.
What is the InChIKey of 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol?
The InChIKey is SNMLEIGCAFUIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c17-12-7-5-11(6-8-12)16-9-13(14-15-16)10-3-1-2-4-10/h1-10,17H.
What are the key properties of 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol?
4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol has a molecular weight of 225.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopenta-2,4-dien-1-yltriazol-1-yl)phenol is sourced from PubChem (CID 102580185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).