4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

C15H13N5 — CID 122540722

IUPAC4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCCNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C15H13N5/c1-2-17-13-7-14(20-15(8-13)18-10-19-20)12-5-3-11(9-16)4-6-12/h3-8,10,17H,2H2,1H3
InChIKeyROJZYGFAQBIEGG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.70
Rot. Bonds3

About 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile

4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (PubChem CID 122540722) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
PubChem CID122540722
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile
SMILESCCNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1
InChIInChI=1S/C15H13N5/c1-2-17-13-7-14(20-15(8-13)18-10-19-20)12-5-3-11(9-16)4-6-12/h3-8,10,17H,2H2,1H3
InChIKeyROJZYGFAQBIEGG-UHFFFAOYSA-N
XLogP2.70
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The IUPAC name of 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile (CID 122540722) is 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is CCNc1cc(-c2ccc(C#N)cc2)n2ncnc2c1.
What is the InChIKey of 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
The InChIKey is ROJZYGFAQBIEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-2-17-13-7-14(20-15(8-13)18-10-19-20)12-5-3-11(9-16)4-6-12/h3-8,10,17H,2H2,1H3.
What are the key properties of 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile?
4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(ethylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzonitrile is sourced from PubChem (CID 122540722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).