2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile

C17H17N5 — CID 657501

IUPAC2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
InChIInChI=1S/C17H17N5/c18-10-12-15-17(21-14-9-5-4-8-13(14)20-15)22(16(12)19)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,19H2
InChIKeyBTXXNGUZHZKTAY-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.54
Rot. Bonds1

About 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile

2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile (PubChem CID 657501) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
PubChem CID657501
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile
SMILESN#Cc1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
InChIInChI=1S/C17H17N5/c18-10-12-15-17(21-14-9-5-4-8-13(14)20-15)22(16(12)19)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,19H2
InChIKeyBTXXNGUZHZKTAY-UHFFFAOYSA-N
XLogP3.54
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The IUPAC name of 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile (CID 657501) is 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The canonical SMILES for 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile is N#Cc1c(N)n(C2CCCCC2)c2nc3ccccc3nc12.
What is the InChIKey of 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
The InChIKey is BTXXNGUZHZKTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c18-10-12-15-17(21-14-9-5-4-8-13(14)20-15)22(16(12)19)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,19H2.
What are the key properties of 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile?
2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-cyclohexylpyrrolo[3,2-b]quinoxaline-3-carbonitrile is sourced from PubChem (CID 657501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).