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

C17H12N8 — CID 24851953

IUPAC6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cn[nH]c5)nc43)cc2c1
InChIInChI=1S/C17H12N8/c1-2-12-6-11(3-4-14(12)18-5-1)10-25-17-16(23-24-25)19-9-15(22-17)13-7-20-21-8-13/h1-9H,10H2,(H,20,21)
InChIKeyFGMRPEYTSBXJGP-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.21
Rot. Bonds3

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

6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 24851953) has the molecular formula C17H12N8 and a molecular weight of 328.34 g/mol. Its IUPAC name is 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID24851953
Molecular FormulaC17H12N8
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cn[nH]c5)nc43)cc2c1
InChIInChI=1S/C17H12N8/c1-2-12-6-11(3-4-14(12)18-5-1)10-25-17-16(23-24-25)19-9-15(22-17)13-7-20-21-8-13/h1-9H,10H2,(H,20,21)
InChIKeyFGMRPEYTSBXJGP-UHFFFAOYSA-N
XLogP2.21
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 24851953) is 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4ncc(-c5cn[nH]c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is FGMRPEYTSBXJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8/c1-2-12-6-11(3-4-14(12)18-5-1)10-25-17-16(23-24-25)19-9-15(22-17)13-7-20-21-8-13/h1-9H,10H2,(H,20,21).
What are the key properties of 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 328.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 24851953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).