N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide

C18H15FN8O — CID 71699927

IUPACN-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C18H15FN8O/c1-10(23-24-11(2)28)16-8-21-17-18(22-16)27(26-25-17)9-13-6-12-4-3-5-20-15(12)7-14(13)19/h3-8H,9H2,1-2H3,(H,24,28)/b23-10+
InChIKeyJYCIOAWHVCUJGQ-AUEPDCJTSA-N
MW378.37 g/mol
LogP1.82
Rot. Bonds4

About N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide

N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide (PubChem CID 71699927) has the molecular formula C18H15FN8O and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide.

Molecular Properties

Compound NameN-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide
PubChem CID71699927
Molecular FormulaC18H15FN8O
Molecular Weight378.37 g/mol
Exact Mass378.14
IUPAC NameN-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide
SMILESCC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1
InChIInChI=1S/C18H15FN8O/c1-10(23-24-11(2)28)16-8-21-17-18(22-16)27(26-25-17)9-13-6-12-4-3-5-20-15(12)7-14(13)19/h3-8H,9H2,1-2H3,(H,24,28)/b23-10+
InChIKeyJYCIOAWHVCUJGQ-AUEPDCJTSA-N
XLogP1.82
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
The IUPAC name of N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide (CID 71699927) is N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide.
What is the SMILES notation for N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
The canonical SMILES for N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide is CC(=O)N/N=C(\C)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1.
What is the InChIKey of N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
The InChIKey is JYCIOAWHVCUJGQ-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H15FN8O/c1-10(23-24-11(2)28)16-8-21-17-18(22-16)27(26-25-17)9-13-6-12-4-3-5-20-15(12)7-14(13)19/h3-8H,9H2,1-2H3,(H,24,28)/b23-10+.
What are the key properties of N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide?
N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide has a molecular weight of 378.37 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]acetamide is sourced from PubChem (CID 71699927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).