3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C13H10F2N4 — CID 82059548

IUPAC3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1ccc(N)c2nnc(-c3ccc(F)c(F)c3)n12
InChIInChI=1S/C13H10F2N4/c1-7-2-5-11(16)13-18-17-12(19(7)13)8-3-4-9(14)10(15)6-8/h2-6H,16H2,1H3
InChIKeyCIWQARRAXVTHGA-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.57
Rot. Bonds1

About 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 82059548) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID82059548
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESCc1ccc(N)c2nnc(-c3ccc(F)c(F)c3)n12
InChIInChI=1S/C13H10F2N4/c1-7-2-5-11(16)13-18-17-12(19(7)13)8-3-4-9(14)10(15)6-8/h2-6H,16H2,1H3
InChIKeyCIWQARRAXVTHGA-UHFFFAOYSA-N
XLogP2.57
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 82059492
2-(3,4-difluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 55247422
8-chloro-3-(4-chloro-3-fluorophenyl)-5,6-dimethyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 107989241
2-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63188193
2-fluoro-5-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 62043241
5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225991
3-(3,4-difluorophenyl)-2,5-dimethylaniline
CID 165494668
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
CID 82370705
6-fluoro-3-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 83965957
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333
5-(3,4-difluorophenyl)-2-ethylaniline
CID 82082698

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 82059548) is 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Cc1ccc(N)c2nnc(-c3ccc(F)c(F)c3)n12.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is CIWQARRAXVTHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c1-7-2-5-11(16)13-18-17-12(19(7)13)8-3-4-9(14)10(15)6-8/h2-6H,16H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 260.25 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 82059548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).