3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile

C12H5ClN4O — CID 70987443

IUPAC3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile
SMILESN#Cc1nc2c(nc1N)-c1cc(Cl)ccc1C2=O
InChIInChI=1S/C12H5ClN4O/c13-5-1-2-6-7(3-5)9-10(11(6)18)16-8(4-14)12(15)17-9/h1-3H,(H2,15,17)
InChIKeyCQSLHNNBQCNVPL-UHFFFAOYSA-N
MW256.65 g/mol
LogP1.80
Rot. Bonds

About 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile

3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile (PubChem CID 70987443) has the molecular formula C12H5ClN4O and a molecular weight of 256.65 g/mol. Its IUPAC name is 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile
PubChem CID70987443
Molecular FormulaC12H5ClN4O
Molecular Weight256.65 g/mol
Exact Mass256.02
IUPAC Name3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile
SMILESN#Cc1nc2c(nc1N)-c1cc(Cl)ccc1C2=O
InChIInChI=1S/C12H5ClN4O/c13-5-1-2-6-7(3-5)9-10(11(6)18)16-8(4-14)12(15)17-9/h1-3H,(H2,15,17)
InChIKeyCQSLHNNBQCNVPL-UHFFFAOYSA-N
XLogP1.80
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.65
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile (CID 70987443) is 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile is N#Cc1nc2c(nc1N)-c1cc(Cl)ccc1C2=O.
What is the InChIKey of 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile?
The InChIKey is CQSLHNNBQCNVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClN4O/c13-5-1-2-6-7(3-5)9-10(11(6)18)16-8(4-14)12(15)17-9/h1-3H,(H2,15,17).
What are the key properties of 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile?
3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile has a molecular weight of 256.65 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-9-oxoindeno[1,2-b]pyrazine-2-carbonitrile is sourced from PubChem (CID 70987443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).