methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate

C16H13FN4O2 — CID 169003913

IUPACmethyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate
SMILESC=Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)OC
InChIInChI=1S/C16H13FN4O2/c1-3-9-4-5-11(14(17)13(9)15(22)23-2)10-6-7-21-12(8-10)19-16(18)20-21/h3-8H,1H2,2H3,(H2,18,20)
InChIKeyHZYHABOMABZGDX-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.55
Rot. Bonds3

About methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate

methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate (PubChem CID 169003913) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate.

Molecular Properties

Compound Namemethyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate
PubChem CID169003913
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Namemethyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate
SMILESC=Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)OC
InChIInChI=1S/C16H13FN4O2/c1-3-9-4-5-11(14(17)13(9)15(22)23-2)10-6-7-21-12(8-10)19-16(18)20-21/h3-8H,1H2,2H3,(H2,18,20)
InChIKeyHZYHABOMABZGDX-UHFFFAOYSA-N
XLogP2.55
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate?
The IUPAC name of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate (CID 169003913) is methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate.
What is the SMILES notation for methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate?
The canonical SMILES for methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate is C=Cc1ccc(-c2ccn3nc(N)nc3c2)c(F)c1C(=O)OC.
What is the InChIKey of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate?
The InChIKey is HZYHABOMABZGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-3-9-4-5-11(14(17)13(9)15(22)23-2)10-6-7-21-12(8-10)19-16(18)20-21/h3-8H,1H2,2H3,(H2,18,20).
What are the key properties of methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate?
methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate has a molecular weight of 312.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-ethenyl-2-fluorobenzoate is sourced from PubChem (CID 169003913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).