5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

C17H13ClN6 — CID 137423783

IUPAC5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1ccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C17H13ClN6/c1-10-4-6-24(23-10)17-16(21-9-14(19)22-17)12-7-11-3-2-5-20-15(11)13(18)8-12/h2-9H,1H3,(H2,19,22)
InChIKeyIJVDVSLJLRUHLN-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.42
Rot. Bonds2

About 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 137423783) has the molecular formula C17H13ClN6 and a molecular weight of 336.79 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
PubChem CID137423783
Molecular FormulaC17H13ClN6
Molecular Weight336.79 g/mol
Exact Mass336.09
IUPAC Name5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1ccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C17H13ClN6/c1-10-4-6-24(23-10)17-16(21-9-14(19)22-17)12-7-11-3-2-5-20-15(11)13(18)8-12/h2-9H,1H3,(H2,19,22)
InChIKeyIJVDVSLJLRUHLN-UHFFFAOYSA-N
XLogP3.42
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine (CID 137423783) is 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is Cc1ccn(-c2nc(N)cnc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is IJVDVSLJLRUHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN6/c1-10-4-6-24(23-10)17-16(21-9-14(19)22-17)12-7-11-3-2-5-20-15(11)13(18)8-12/h2-9H,1H3,(H2,19,22).
What are the key properties of 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 336.79 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 137423783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).