3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline

C14H16N4 — CID 11085890

IUPAC3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline
SMILESCc1nn(CC(C)C)c2nc3ccccc3nc12
InChIInChI=1S/C14H16N4/c1-9(2)8-18-14-13(10(3)17-18)15-11-6-4-5-7-12(11)16-14/h4-7,9H,8H2,1-3H3
InChIKeyPRGFZUIAIHRPRO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.94
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline

3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline (PubChem CID 11085890) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline
PubChem CID11085890
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline
SMILESCc1nn(CC(C)C)c2nc3ccccc3nc12
InChIInChI=1S/C14H16N4/c1-9(2)8-18-14-13(10(3)17-18)15-11-6-4-5-7-12(11)16-14/h4-7,9H,8H2,1-3H3
InChIKeyPRGFZUIAIHRPRO-UHFFFAOYSA-N
XLogP2.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazolo[3,4-b]quinoxalin-3-amine
CID 438981
2-methyl-3-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}quinoxaline
CID 72704532
5-((3R)-3-Fluoropyrrolidin-1-yl)-N-(11C)methyl-2-(3-methylquinoxalin-2-yl)-N-tetrahydropyran-4-yl-pyrazolo(1,5-a)pyrimidin-7-amine
CID 118727099
N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 802045
4-(3,5-dimethyl-1H-pyrazol-1-yl)-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
CID 3968241
3-(3,5-Dimethylpyrazol-1-yl)-5-methyl-[1,2,4]triazino[5,6-b]indole
CID 6401200
5-Methylbenzimidazolo[2,1-a]phthalazine
CID 650521
Diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine
CID 654516
2-amino-1-butyl-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
CID 1666392
4-Chloro[1,2,4]triazolo[4,3-a]quinoxaline
CID 1126118
2-Butylpyrazolo[1,5-a]quinoxalin-4-amine
CID 139030521
Imidazo[1,2-b]pyridazine deriv. 3
CID 6539042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline?
The IUPAC name of 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline (CID 11085890) is 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline is Cc1nn(CC(C)C)c2nc3ccccc3nc12.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline?
The InChIKey is PRGFZUIAIHRPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-9(2)8-18-14-13(10(3)17-18)15-11-6-4-5-7-12(11)16-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline?
3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline has a molecular weight of 240.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)pyrazolo[4,3-b]quinoxaline is sourced from PubChem (CID 11085890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).