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

C13H13N3 — CID 122398556

IUPAC7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine
SMILESC=C1CCCc2c(-c3ccccc3)nnn21
InChIInChI=1S/C13H13N3/c1-10-6-5-9-12-13(14-15-16(10)12)11-7-3-2-4-8-11/h2-4,7-8H,1,5-6,9H2
InChIKeyQSCMLXWTQLMRNU-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.75
Rot. Bonds1

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

7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine (PubChem CID 122398556) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine
PubChem CID122398556
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine
SMILESC=C1CCCc2c(-c3ccccc3)nnn21
InChIInChI=1S/C13H13N3/c1-10-6-5-9-12-13(14-15-16(10)12)11-7-3-2-4-8-11/h2-4,7-8H,1,5-6,9H2
InChIKeyQSCMLXWTQLMRNU-UHFFFAOYSA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine?
The IUPAC name of 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine (CID 122398556) is 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine?
The canonical SMILES for 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine is C=C1CCCc2c(-c3ccccc3)nnn21.
What is the InChIKey of 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine?
The InChIKey is QSCMLXWTQLMRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-10-6-5-9-12-13(14-15-16(10)12)11-7-3-2-4-8-11/h2-4,7-8H,1,5-6,9H2.
What are the key properties of 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine?
7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine has a molecular weight of 211.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-3-phenyl-5,6-dihydro-4H-triazolo[1,5-a]pyridine is sourced from PubChem (CID 122398556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).