4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline

C17H16N6 — CID 169413934

IUPAC4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline
SMILESCc1cc(-c2ccnn2C)nc2ccc(-c3nncn3C)cc12
InChIInChI=1S/C17H16N6/c1-11-8-15(16-6-7-19-23(16)3)20-14-5-4-12(9-13(11)14)17-21-18-10-22(17)2/h4-10H,1-3H3
InChIKeyCSKGDISFDPCQDX-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.74
Rot. Bonds2

About 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline

4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline (PubChem CID 169413934) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline
PubChem CID169413934
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline
SMILESCc1cc(-c2ccnn2C)nc2ccc(-c3nncn3C)cc12
InChIInChI=1S/C17H16N6/c1-11-8-15(16-6-7-19-23(16)3)20-14-5-4-12(9-13(11)14)17-21-18-10-22(17)2/h4-10H,1-3H3
InChIKeyCSKGDISFDPCQDX-UHFFFAOYSA-N
XLogP2.74
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline?
The IUPAC name of 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline (CID 169413934) is 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline.
What is the SMILES notation for 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline?
The canonical SMILES for 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline is Cc1cc(-c2ccnn2C)nc2ccc(-c3nncn3C)cc12.
What is the InChIKey of 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline?
The InChIKey is CSKGDISFDPCQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c1-11-8-15(16-6-7-19-23(16)3)20-14-5-4-12(9-13(11)14)17-21-18-10-22(17)2/h4-10H,1-3H3.
What are the key properties of 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline?
4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline has a molecular weight of 304.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpyrazol-3-yl)-6-(4-methyl-1,2,4-triazol-3-yl)quinoline is sourced from PubChem (CID 169413934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).