2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol

C15H12N4O — CID 3611136

IUPAC2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(C=Cc2ccccn2)n1
InChIInChI=1S/C15H12N4O/c20-13-7-2-1-6-12(13)15-17-14(18-19-15)9-8-11-5-3-4-10-16-11/h1-10,20H,(H,17,18,19)
InChIKeyLVAXEMVQXKLDDT-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.74
Rot. Bonds3

About 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol

2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 3611136) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID3611136
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1n[nH]c(C=Cc2ccccn2)n1
InChIInChI=1S/C15H12N4O/c20-13-7-2-1-6-12(13)15-17-14(18-19-15)9-8-11-5-3-4-10-16-11/h1-10,20H,(H,17,18,19)
InChIKeyLVAXEMVQXKLDDT-UHFFFAOYSA-N
XLogP2.74
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol (CID 3611136) is 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1n[nH]c(C=Cc2ccccn2)n1.
What is the InChIKey of 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is LVAXEMVQXKLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c20-13-7-2-1-6-12(13)15-17-14(18-19-15)9-8-11-5-3-4-10-16-11/h1-10,20H,(H,17,18,19).
What are the key properties of 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol?
2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 264.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-pyridin-2-ylethenyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 3611136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).