4-methylidene-1-(1,2,4-triazol-4-yl)pyridine

C8H8N4 — CID 23534348

IUPAC4-methylidene-1-(1,2,4-triazol-4-yl)pyridine
SMILESC=C1C=CN(n2cnnc2)C=C1
InChIInChI=1S/C8H8N4/c1-8-2-4-11(5-3-8)12-6-9-10-7-12/h2-7H,1H2
InChIKeyKCZAVDCFNDSZSQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.81
Rot. Bonds1

About 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine

4-methylidene-1-(1,2,4-triazol-4-yl)pyridine (PubChem CID 23534348) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name4-methylidene-1-(1,2,4-triazol-4-yl)pyridine
PubChem CID23534348
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4-methylidene-1-(1,2,4-triazol-4-yl)pyridine
SMILESC=C1C=CN(n2cnnc2)C=C1
InChIInChI=1S/C8H8N4/c1-8-2-4-11(5-3-8)12-6-9-10-7-12/h2-7H,1H2
InChIKeyKCZAVDCFNDSZSQ-UHFFFAOYSA-N
XLogP0.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine (CID 23534348) is 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine is C=C1C=CN(n2cnnc2)C=C1.
What is the InChIKey of 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is KCZAVDCFNDSZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-8-2-4-11(5-3-8)12-6-9-10-7-12/h2-7H,1H2.
What are the key properties of 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine?
4-methylidene-1-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 160.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 23534348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).