8-methyl-2-(1H-pyrazol-4-yl)quinoxaline

C12H10N4 — CID 163237562

IUPAC8-methyl-2-(1H-pyrazol-4-yl)quinoxaline
SMILESCc1cccc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C12H10N4/c1-8-3-2-4-10-12(8)16-11(7-13-10)9-5-14-15-6-9/h2-7H,1H3,(H,14,15)
InChIKeyQSYYQMVNFXBXNO-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

About 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline

8-methyl-2-(1H-pyrazol-4-yl)quinoxaline (PubChem CID 163237562) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline.

Molecular Properties

Compound Name8-methyl-2-(1H-pyrazol-4-yl)quinoxaline
PubChem CID163237562
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name8-methyl-2-(1H-pyrazol-4-yl)quinoxaline
SMILESCc1cccc2ncc(-c3cn[nH]c3)nc12
InChIInChI=1S/C12H10N4/c1-8-3-2-4-10-12(8)16-11(7-13-10)9-5-14-15-6-9/h2-7H,1H3,(H,14,15)
InChIKeyQSYYQMVNFXBXNO-UHFFFAOYSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline?
The IUPAC name of 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline (CID 163237562) is 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline.
What is the SMILES notation for 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline?
The canonical SMILES for 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline is Cc1cccc2ncc(-c3cn[nH]c3)nc12.
What is the InChIKey of 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline?
The InChIKey is QSYYQMVNFXBXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-3-2-4-10-12(8)16-11(7-13-10)9-5-14-15-6-9/h2-7H,1H3,(H,14,15).
What are the key properties of 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline?
8-methyl-2-(1H-pyrazol-4-yl)quinoxaline has a molecular weight of 210.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(1H-pyrazol-4-yl)quinoxaline is sourced from PubChem (CID 163237562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).