2-butylpyrazolo[1,5-a]quinoxalin-4-amine

C14H16N4 — CID 139030521

IUPAC2-butylpyrazolo[1,5-a]quinoxalin-4-amine
SMILESCCCCc1cc2c(N)nc3ccccc3n2n1
InChIInChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)
InChIKeyYMNPLUINBRDMEW-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.81
Rot. Bonds3

About 2-butylpyrazolo[1,5-a]quinoxalin-4-amine

2-butylpyrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 139030521) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-butylpyrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound Name2-butylpyrazolo[1,5-a]quinoxalin-4-amine
PubChem CID139030521
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name2-butylpyrazolo[1,5-a]quinoxalin-4-amine
SMILESCCCCc1cc2c(N)nc3ccccc3n2n1
InChIInChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16)
InChIKeyYMNPLUINBRDMEW-UHFFFAOYSA-N
XLogP2.81
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butylpyrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of 2-butylpyrazolo[1,5-a]quinoxalin-4-amine (CID 139030521) is 2-butylpyrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for 2-butylpyrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for 2-butylpyrazolo[1,5-a]quinoxalin-4-amine is CCCCc1cc2c(N)nc3ccccc3n2n1.
What is the InChIKey of 2-butylpyrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is YMNPLUINBRDMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-2-3-6-10-9-13-14(15)16-11-7-4-5-8-12(11)18(13)17-10/h4-5,7-9H,2-3,6H2,1H3,(H2,15,16).
What are the key properties of 2-butylpyrazolo[1,5-a]quinoxalin-4-amine?
2-butylpyrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 139030521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).