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

C19H16N8 — CID 59341847

IUPAC6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESC[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C19H16N8/c1-12(13-5-6-16-14(8-13)4-3-7-20-16)27-19-18(24-25-27)21-10-17(23-19)15-9-22-26(2)11-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeyVKIVUAVVIMZCSX-LBPRGKRZSA-N
MW356.39 g/mol
LogP2.78
Rot. Bonds3

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

6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline (PubChem CID 59341847) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline.

Molecular Properties

Compound Name6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
PubChem CID59341847
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline
SMILESC[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21
InChIInChI=1S/C19H16N8/c1-12(13-5-6-16-14(8-13)4-3-7-20-16)27-19-18(24-25-27)21-10-17(23-19)15-9-22-26(2)11-15/h3-12H,1-2H3/t12-/m0/s1
InChIKeyVKIVUAVVIMZCSX-LBPRGKRZSA-N
XLogP2.78
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The IUPAC name of 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline (CID 59341847) is 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline.
What is the SMILES notation for 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The canonical SMILES for 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline is C[C@@H](c1ccc2ncccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21.
What is the InChIKey of 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
The InChIKey is VKIVUAVVIMZCSX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16N8/c1-12(13-5-6-16-14(8-13)4-3-7-20-16)27-19-18(24-25-27)21-10-17(23-19)15-9-22-26(2)11-15/h3-12H,1-2H3/t12-/m0/s1.
What are the key properties of 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline?
6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline has a molecular weight of 356.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]ethyl]quinoline is sourced from PubChem (CID 59341847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).