(E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine

C23H19N7O — CID 58190514

IUPAC(E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
SMILESC/C(=N\OCc1ccccc1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C23H19N7O/c1-16(28-31-15-17-6-3-2-4-7-17)21-13-25-22-23(26-21)30(29-27-22)14-18-9-10-20-19(12-18)8-5-11-24-20/h2-13H,14-15H2,1H3/b28-16+
InChIKeyMKOZIAUTORDZRR-LQKURTRISA-N
MW409.45 g/mol
LogP3.76
Rot. Bonds6

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

(E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine (PubChem CID 58190514) has the molecular formula C23H19N7O and a molecular weight of 409.45 g/mol. Its IUPAC name is (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine.

Molecular Properties

Compound Name(E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
PubChem CID58190514
Molecular FormulaC23H19N7O
Molecular Weight409.45 g/mol
Exact Mass409.17
IUPAC Name(E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
SMILESC/C(=N\OCc1ccccc1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C23H19N7O/c1-16(28-31-15-17-6-3-2-4-7-17)21-13-25-22-23(26-21)30(29-27-22)14-18-9-10-20-19(12-18)8-5-11-24-20/h2-13H,14-15H2,1H3/b28-16+
InChIKeyMKOZIAUTORDZRR-LQKURTRISA-N
XLogP3.76
TPSA90.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
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 (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The IUPAC name of (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine (CID 58190514) is (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine.
What is the SMILES notation for (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The canonical SMILES for (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine is C/C(=N\OCc1ccccc1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The InChIKey is MKOZIAUTORDZRR-LQKURTRISA-N. The full InChI is InChI=1S/C23H19N7O/c1-16(28-31-15-17-6-3-2-4-7-17)21-13-25-22-23(26-21)30(29-27-22)14-18-9-10-20-19(12-18)8-5-11-24-20/h2-13H,14-15H2,1H3/b28-16+.
What are the key properties of (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
(E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine has a molecular weight of 409.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine is sourced from PubChem (CID 58190514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).