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

C21H22N8O — CID 58190517

IUPAC(E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
SMILESC/C(=N\OC1CCNCC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C21H22N8O/c1-14(27-30-17-6-9-22-10-7-17)19-12-24-20-21(25-19)29(28-26-20)13-15-4-5-18-16(11-15)3-2-8-23-18/h2-5,8,11-12,17,22H,6-7,9-10,13H2,1H3/b27-14+
InChIKeyCGHGHMJTEAPLQE-MZJWZYIUSA-N
MW402.46 g/mol
LogP2.31
Rot. Bonds5

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

(E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine (PubChem CID 58190517) has the molecular formula C21H22N8O and a molecular weight of 402.46 g/mol. Its IUPAC name is (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine.

Molecular Properties

Compound Name(E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
PubChem CID58190517
Molecular FormulaC21H22N8O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Name(E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
SMILESC/C(=N\OC1CCNCC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
InChIInChI=1S/C21H22N8O/c1-14(27-30-17-6-9-22-10-7-17)19-12-24-20-21(25-19)29(28-26-20)13-15-4-5-18-16(11-15)3-2-8-23-18/h2-5,8,11-12,17,22H,6-7,9-10,13H2,1H3/b27-14+
InChIKeyCGHGHMJTEAPLQE-MZJWZYIUSA-N
XLogP2.31
TPSA103.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The IUPAC name of (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine (CID 58190517) is (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine.
What is the SMILES notation for (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The canonical SMILES for (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine is C/C(=N\OC1CCNCC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.
What is the InChIKey of (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
The InChIKey is CGHGHMJTEAPLQE-MZJWZYIUSA-N. The full InChI is InChI=1S/C21H22N8O/c1-14(27-30-17-6-9-22-10-7-17)19-12-24-20-21(25-19)29(28-26-20)13-15-4-5-18-16(11-15)3-2-8-23-18/h2-5,8,11-12,17,22H,6-7,9-10,13H2,1H3/b27-14+.
What are the key properties of (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine?
(E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine has a molecular weight of 402.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-piperidin-4-yloxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine is sourced from PubChem (CID 58190517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).