6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C18H14N8 — CID 24851730

IUPAC6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C18H14N8/c1-25-11-14(8-21-25)16-9-20-17-18(22-16)26(24-23-17)10-12-4-5-15-13(7-12)3-2-6-19-15/h2-9,11H,10H2,1H3
InChIKeyNEXCQDVISDLHJA-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.22
Rot. Bonds3

About 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 24851730) has the molecular formula C18H14N8 and a molecular weight of 342.37 g/mol. Its IUPAC name is 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID24851730
Molecular FormulaC18H14N8
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1
InChIInChI=1S/C18H14N8/c1-25-11-14(8-21-25)16-9-20-17-18(22-16)26(24-23-17)10-12-4-5-15-13(7-12)3-2-6-19-15/h2-9,11H,10H2,1H3
InChIKeyNEXCQDVISDLHJA-UHFFFAOYSA-N
XLogP2.22
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 24851730) is 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.
What is the InChIKey of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is NEXCQDVISDLHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8/c1-25-11-14(8-21-25)16-9-20-17-18(22-16)26(24-23-17)10-12-4-5-15-13(7-12)3-2-6-19-15/h2-9,11H,10H2,1H3.
What are the key properties of 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 342.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 24851730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).