4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline

C13H11ClN4 — CID 116990105

IUPAC4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(Cl)cn3n2)cc1
InChIInChI=1S/C13H11ClN4/c1-15-11-5-2-9(3-6-11)13-16-12-7-4-10(14)8-18(12)17-13/h2-8,15H,1H3
InChIKeyOWLNBLFCWUFECF-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.09
Rot. Bonds2

About 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline

4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline (PubChem CID 116990105) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline
PubChem CID116990105
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2nc3ccc(Cl)cn3n2)cc1
InChIInChI=1S/C13H11ClN4/c1-15-11-5-2-9(3-6-11)13-16-12-7-4-10(14)8-18(12)17-13/h2-8,15H,1H3
InChIKeyOWLNBLFCWUFECF-UHFFFAOYSA-N
XLogP3.09
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline (CID 116990105) is 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline is CNc1ccc(-c2nc3ccc(Cl)cn3n2)cc1.
What is the InChIKey of 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline?
The InChIKey is OWLNBLFCWUFECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-15-11-5-2-9(3-6-11)13-16-12-7-4-10(14)8-18(12)17-13/h2-8,15H,1H3.
What are the key properties of 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline?
4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline has a molecular weight of 258.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-N-methylaniline is sourced from PubChem (CID 116990105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).