N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide

C13H8ClF3N4O2 — CID 7711373

IUPACN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccco1
InChIInChI=1S/C13H8ClF3N4O2/c14-7-4-8(13(15,16)17)11-20-19-10(21(11)6-7)5-18-12(22)9-2-1-3-23-9/h1-4,6H,5H2,(H,18,22)
InChIKeySZKDSAHJWZIMED-UHFFFAOYSA-N
MW344.68 g/mol
LogP2.92
Rot. Bonds3

About N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide

N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide (PubChem CID 7711373) has the molecular formula C13H8ClF3N4O2 and a molecular weight of 344.68 g/mol. Its IUPAC name is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
PubChem CID7711373
Molecular FormulaC13H8ClF3N4O2
Molecular Weight344.68 g/mol
Exact Mass344.03
IUPAC NameN-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccco1
InChIInChI=1S/C13H8ClF3N4O2/c14-7-4-8(13(15,16)17)11-20-19-10(21(11)6-7)5-18-12(22)9-2-1-3-23-9/h1-4,6H,5H2,(H,18,22)
InChIKeySZKDSAHJWZIMED-UHFFFAOYSA-N
XLogP2.92
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.68
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide (CID 7711373) is N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide is O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccco1.
What is the InChIKey of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is SZKDSAHJWZIMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4O2/c14-7-4-8(13(15,16)17)11-20-19-10(21(11)6-7)5-18-12(22)9-2-1-3-23-9/h1-4,6H,5H2,(H,18,22).
What are the key properties of N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide?
N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 344.68 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 7711373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).