6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H13FN4O2 — CID 56932207

IUPAC6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cc(F)c3nc(N)nn3c2)cc1OC
InChIInChI=1S/C14H13FN4O2/c1-20-11-4-3-8(6-12(11)21-2)9-5-10(15)13-17-14(16)18-19(13)7-9/h3-7H,1-2H3,(H2,16,18)
InChIKeyICSMWXONYGGJHX-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.13
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 56932207) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID56932207
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(-c2cc(F)c3nc(N)nn3c2)cc1OC
InChIInChI=1S/C14H13FN4O2/c1-20-11-4-3-8(6-12(11)21-2)9-5-10(15)13-17-14(16)18-19(13)7-9/h3-7H,1-2H3,(H2,16,18)
InChIKeyICSMWXONYGGJHX-UHFFFAOYSA-N
XLogP2.13
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 56932207) is 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(-c2cc(F)c3nc(N)nn3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ICSMWXONYGGJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-20-11-4-3-8(6-12(11)21-2)9-5-10(15)13-17-14(16)18-19(13)7-9/h3-7H,1-2H3,(H2,16,18).
What are the key properties of 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 288.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 56932207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).