N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide

C19H11F3N6O2 — CID 69450035

IUPACN-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide
SMILESNc1nc(C#CCNC(=O)c2c(F)cc(F)cc2F)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C19H11F3N6O2/c20-10-7-12(21)15(13(22)8-10)19(29)24-5-1-3-11-9-28-18(16(23)25-11)26-17(27-28)14-4-2-6-30-14/h2,4,6-9H,5H2,(H2,23,25)(H,24,29)
InChIKeyROAUEUSWIDHDEW-UHFFFAOYSA-N
MW412.33 g/mol
LogP2.17
Rot. Bonds3

About N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide

N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide (PubChem CID 69450035) has the molecular formula C19H11F3N6O2 and a molecular weight of 412.33 g/mol. Its IUPAC name is N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide
PubChem CID69450035
Molecular FormulaC19H11F3N6O2
Molecular Weight412.33 g/mol
Exact Mass412.09
IUPAC NameN-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide
SMILESNc1nc(C#CCNC(=O)c2c(F)cc(F)cc2F)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C19H11F3N6O2/c20-10-7-12(21)15(13(22)8-10)19(29)24-5-1-3-11-9-28-18(16(23)25-11)26-17(27-28)14-4-2-6-30-14/h2,4,6-9H,5H2,(H2,23,25)(H,24,29)
InChIKeyROAUEUSWIDHDEW-UHFFFAOYSA-N
XLogP2.17
TPSA111.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-6-[3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyprop-1-ynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 11153902
4-[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-2-hydroxybut-3-yn-2-yl]phenol
CID 11152634
4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-N-propan-2-ylbenzamide
CID 69460896
[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 11372234
tert-butyl (3S)-3-[2-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]ethynyl]-3-hydroxypiperidine-1-carboxylate
CID 129383423
ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate
CID 69455070
2-(furan-2-yl)-6-[2-[1-(quinolin-3-ylmethyl)pyrrolidin-2-yl]ethynyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 69457262
6-[1-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 69454550
[4-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 69450617
2-(furan-2-yl)-6-(3-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 69455635
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 757187
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide (CID 69450035) is N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide is Nc1nc(C#CCNC(=O)c2c(F)cc(F)cc2F)cn2nc(-c3ccco3)nc12.
What is the InChIKey of N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide?
The InChIKey is ROAUEUSWIDHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N6O2/c20-10-7-12(21)15(13(22)8-10)19(29)24-5-1-3-11-9-28-18(16(23)25-11)26-17(27-28)14-4-2-6-30-14/h2,4,6-9H,5H2,(H2,23,25)(H,24,29).
What are the key properties of N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide?
N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide has a molecular weight of 412.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]prop-2-ynyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 69450035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).