3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile

C15H11N5 — CID 68588332

IUPAC3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile
SMILESN#CC=Cc1cccc2nc(Nc3ccccc3)nn12
InChIInChI=1S/C15H11N5/c16-11-5-9-13-8-4-10-14-18-15(19-20(13)14)17-12-6-2-1-3-7-12/h1-10H,(H,17,19)
InChIKeySFVVUGVXLSIQFZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.01
Rot. Bonds3

About 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile

3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile (PubChem CID 68588332) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile
PubChem CID68588332
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile
SMILESN#CC=Cc1cccc2nc(Nc3ccccc3)nn12
InChIInChI=1S/C15H11N5/c16-11-5-9-13-8-4-10-14-18-15(19-20(13)14)17-12-6-2-1-3-7-12/h1-10H,(H,17,19)
InChIKeySFVVUGVXLSIQFZ-UHFFFAOYSA-N
XLogP3.01
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile?
The IUPAC name of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile (CID 68588332) is 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile.
What is the SMILES notation for 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile?
The canonical SMILES for 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile is N#CC=Cc1cccc2nc(Nc3ccccc3)nn12.
What is the InChIKey of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile?
The InChIKey is SFVVUGVXLSIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-11-5-9-13-8-4-10-14-18-15(19-20(13)14)17-12-6-2-1-3-7-12/h1-10H,(H,17,19).
What are the key properties of 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile?
3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile has a molecular weight of 261.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)prop-2-enenitrile is sourced from PubChem (CID 68588332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).