(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine

C19H17N7O2 — CID 86652054

IUPAC(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
SMILESC/C(=N/OC1COC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C19H17N7O2/c1-12(24-28-15-10-27-11-15)17-8-21-18-19(22-17)26(25-23-18)9-13-4-5-16-14(7-13)3-2-6-20-16/h2-8,15H,9-11H2,1H3/b24-12-
InChIKeyAEXOTKTYDHSBDK-MSXFZWOLSA-N
MW375.39 g/mol
LogP1.96
Rot. Bonds5

About (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine

(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine (PubChem CID 86652054) has the molecular formula C19H17N7O2 and a molecular weight of 375.39 g/mol. Its IUPAC name is (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
PubChem CID86652054
Molecular FormulaC19H17N7O2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
SMILESC/C(=N/OC1COC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C19H17N7O2/c1-12(24-28-15-10-27-11-15)17-8-21-18-19(22-17)26(25-23-18)9-13-4-5-16-14(7-13)3-2-6-20-16/h2-8,15H,9-11H2,1H3/b24-12-
InChIKeyAEXOTKTYDHSBDK-MSXFZWOLSA-N
XLogP1.96
TPSA100.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine with MolForge

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Related Compounds

(E)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 58190528
(E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 58190517
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
(Z)-N-[(4-methoxyphenyl)methoxy]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 86652025
methyl 2-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetate
CID 76720043
methyl 2-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetate;2-[(E)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxyacetamide
CID 172922384
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
2-[(Z)-1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyrazin-5-yl]ethylideneamino]oxy-2-methylpropan-1-ol
CID 86652016
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The IUPAC name of (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine (CID 86652054) is (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine.
What is the SMILES notation for (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The canonical SMILES for (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine is C/C(=N/OC1COC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The InChIKey is AEXOTKTYDHSBDK-MSXFZWOLSA-N. The full InChI is InChI=1S/C19H17N7O2/c1-12(24-28-15-10-27-11-15)17-8-21-18-19(22-17)26(25-23-18)9-13-4-5-16-14(7-13)3-2-6-20-16/h2-8,15H,9-11H2,1H3/b24-12-.
What are the key properties of (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
(Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine has a molecular weight of 375.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(oxetan-3-yloxy)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine is sourced from PubChem (CID 86652054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).