1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol

C10H10N4O — CID 163670356

IUPAC1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol
SMILESC=C(O)c1ccc(-c2n[nH]c(C)n2)nc1
InChIInChI=1S/C10H10N4O/c1-6(15)8-3-4-9(11-5-8)10-12-7(2)13-14-10/h3-5,15H,1H2,2H3,(H,12,13,14)
InChIKeyJBZOAYILWWZGPM-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.70
Rot. Bonds2

About 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol

1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol (PubChem CID 163670356) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol.

Molecular Properties

Compound Name1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol
PubChem CID163670356
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol
SMILESC=C(O)c1ccc(-c2n[nH]c(C)n2)nc1
InChIInChI=1S/C10H10N4O/c1-6(15)8-3-4-9(11-5-8)10-12-7(2)13-14-10/h3-5,15H,1H2,2H3,(H,12,13,14)
InChIKeyJBZOAYILWWZGPM-UHFFFAOYSA-N
XLogP1.70
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol?
The IUPAC name of 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol (CID 163670356) is 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol.
What is the SMILES notation for 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol?
The canonical SMILES for 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol is C=C(O)c1ccc(-c2n[nH]c(C)n2)nc1.
What is the InChIKey of 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol?
The InChIKey is JBZOAYILWWZGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-6(15)8-3-4-9(11-5-8)10-12-7(2)13-14-10/h3-5,15H,1H2,2H3,(H,12,13,14).
What are the key properties of 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol?
1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol has a molecular weight of 202.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-methyl-1H-1,2,4-triazol-3-yl)-3-pyridinyl]ethenol is sourced from PubChem (CID 163670356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).