(3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone

C18H12N4O — CID 11695117

IUPAC(3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccc2c(-c3ccccc3)nnn12
InChIInChI=1S/C18H12N4O/c23-18(14-9-4-5-12-19-14)16-11-6-10-15-17(20-21-22(15)16)13-7-2-1-3-8-13/h1-12H
InChIKeyLLSSGXAUMWHTJX-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.02
Rot. Bonds3

About (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone

(3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone (PubChem CID 11695117) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone.

Molecular Properties

Compound Name(3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone
PubChem CID11695117
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name(3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)c1cccc2c(-c3ccccc3)nnn12
InChIInChI=1S/C18H12N4O/c23-18(14-9-4-5-12-19-14)16-11-6-10-15-17(20-21-22(15)16)13-7-2-1-3-8-13/h1-12H
InChIKeyLLSSGXAUMWHTJX-UHFFFAOYSA-N
XLogP3.02
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone?
The IUPAC name of (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone (CID 11695117) is (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone.
What is the SMILES notation for (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone?
The canonical SMILES for (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone is O=C(c1ccccn1)c1cccc2c(-c3ccccc3)nnn12.
What is the InChIKey of (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone?
The InChIKey is LLSSGXAUMWHTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c23-18(14-9-4-5-12-19-14)16-11-6-10-15-17(20-21-22(15)16)13-7-2-1-3-8-13/h1-12H.
What are the key properties of (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone?
(3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone has a molecular weight of 300.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyltriazolo[1,5-a]pyridin-7-yl)-pyridin-2-ylmethanone is sourced from PubChem (CID 11695117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).