3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C8H11N3 — CID 168957890

IUPAC3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C1CCn2c(C)nnc2C1
InChIInChI=1S/C8H11N3/c1-6-3-4-11-7(2)9-10-8(11)5-6/h1,3-5H2,2H3
InChIKeyMOUHQEFUNPXDES-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.09
Rot. Bonds

About 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 168957890) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID168957890
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESC=C1CCn2c(C)nnc2C1
InChIInChI=1S/C8H11N3/c1-6-3-4-11-7(2)9-10-8(11)5-6/h1,3-5H2,2H3
InChIKeyMOUHQEFUNPXDES-UHFFFAOYSA-N
XLogP1.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 168957890) is 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is C=C1CCn2c(C)nnc2C1.
What is the InChIKey of 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is MOUHQEFUNPXDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-6-3-4-11-7(2)9-10-8(11)5-6/h1,3-5H2,2H3.
What are the key properties of 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 149.20 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylidene-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 168957890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).