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

C17H12N8 — CID 24852078

IUPAC6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5ccn[nH]5)nc43)cc2c1
InChIInChI=1S/C17H12N8/c1-2-12-8-11(3-4-13(12)18-6-1)10-25-17-16(23-24-25)19-9-15(21-17)14-5-7-20-22-14/h1-9H,10H2,(H,20,22)
InChIKeyKWPOCAVFDMSKMF-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.21
Rot. Bonds3

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

6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 24852078) has the molecular formula C17H12N8 and a molecular weight of 328.34 g/mol. Its IUPAC name is 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID24852078
Molecular FormulaC17H12N8
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5ccn[nH]5)nc43)cc2c1
InChIInChI=1S/C17H12N8/c1-2-12-8-11(3-4-13(12)18-6-1)10-25-17-16(23-24-25)19-9-15(21-17)14-5-7-20-22-14/h1-9H,10H2,(H,20,22)
InChIKeyKWPOCAVFDMSKMF-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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Related Compounds

6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
CID 67455909
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
6-[[5-(1H-pyrazol-5-yl)-1,2-dihydrotriazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 118214035
2-methyl-1-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]amino]propan-2-ol
CID 59341867
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 59341868
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine
CID 59341944
methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 24852078) is 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4ncc(-c5ccn[nH]5)nc43)cc2c1.
What is the InChIKey of 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is KWPOCAVFDMSKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8/c1-2-12-8-11(3-4-13(12)18-6-1)10-25-17-16(23-24-25)19-9-15(21-17)14-5-7-20-22-14/h1-9H,10H2,(H,20,22).
What are the key properties of 6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(1H-pyrazol-5-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-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 24852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).