3H-pyrazolo[4,3-b]quinoxalin-3-amine

C9H7N5 — CID 23641603

IUPAC3H-pyrazolo[4,3-b]quinoxalin-3-amine
SMILESNC1N=Nc2nc3ccccc3nc21
InChIInChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4,8H,10H2
InChIKeyHNQOBXLEAKVVES-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.68
Rot. Bonds

About 3H-pyrazolo[4,3-b]quinoxalin-3-amine

3H-pyrazolo[4,3-b]quinoxalin-3-amine (PubChem CID 23641603) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 3H-pyrazolo[4,3-b]quinoxalin-3-amine.

Molecular Properties

Compound Name3H-pyrazolo[4,3-b]quinoxalin-3-amine
PubChem CID23641603
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name3H-pyrazolo[4,3-b]quinoxalin-3-amine
SMILESNC1N=Nc2nc3ccccc3nc21
InChIInChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4,8H,10H2
InChIKeyHNQOBXLEAKVVES-UHFFFAOYSA-N
XLogP1.68
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrazolo[4,3-b]quinoxalin-3-amine?
The IUPAC name of 3H-pyrazolo[4,3-b]quinoxalin-3-amine (CID 23641603) is 3H-pyrazolo[4,3-b]quinoxalin-3-amine.
What is the SMILES notation for 3H-pyrazolo[4,3-b]quinoxalin-3-amine?
The canonical SMILES for 3H-pyrazolo[4,3-b]quinoxalin-3-amine is NC1N=Nc2nc3ccccc3nc21.
What is the InChIKey of 3H-pyrazolo[4,3-b]quinoxalin-3-amine?
The InChIKey is HNQOBXLEAKVVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c10-8-7-9(14-13-8)12-6-4-2-1-3-5(6)11-7/h1-4,8H,10H2.
What are the key properties of 3H-pyrazolo[4,3-b]quinoxalin-3-amine?
3H-pyrazolo[4,3-b]quinoxalin-3-amine has a molecular weight of 185.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrazolo[4,3-b]quinoxalin-3-amine is sourced from PubChem (CID 23641603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).