2-amino-5-(4-amino-3-cyanoanilino)benzonitrile

C14H11N5 — CID 162352092

IUPAC2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
SMILESN#Cc1cc(Nc2ccc(N)c(C#N)c2)ccc1N
InChIInChI=1S/C14H11N5/c15-7-9-5-11(1-3-13(9)17)19-12-2-4-14(18)10(6-12)8-16/h1-6,19H,17-18H2
InChIKeyXLIQQVKYOGPWEO-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.34
Rot. Bonds2

About 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile

2-amino-5-(4-amino-3-cyanoanilino)benzonitrile (PubChem CID 162352092) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile.

Molecular Properties

Compound Name2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
PubChem CID162352092
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name2-amino-5-(4-amino-3-cyanoanilino)benzonitrile
SMILESN#Cc1cc(Nc2ccc(N)c(C#N)c2)ccc1N
InChIInChI=1S/C14H11N5/c15-7-9-5-11(1-3-13(9)17)19-12-2-4-14(18)10(6-12)8-16/h1-6,19H,17-18H2
InChIKeyXLIQQVKYOGPWEO-UHFFFAOYSA-N
XLogP2.34
TPSA111.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(3-methylanilino)benzonitrile
CID 113323826
2-amino-5-(4-bromo-3-fluoroanilino)benzonitrile
CID 115499569
2-amino-5-(3,5-dichloro-4-fluoroanilino)benzonitrile
CID 107571548
2-amino-5-(2,3-dihydro-1H-inden-5-ylamino)benzonitrile
CID 115499036
2-amino-5-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107643342
2-amino-5-(4-bromo-2-cyanoanilino)benzonitrile
CID 82702495
2-amino-5-(4-bromo-3-methoxyanilino)benzonitrile
CID 82857794
2-amino-5-(2-methylanilino)benzonitrile
CID 113323831
2-amino-5-(propan-2-ylamino)benzonitrile
CID 115498951
2-amino-5-(4-bromo-2,6-dimethylanilino)benzonitrile
CID 115499574
2-amino-5-(2-aminoethylamino)benzonitrile
CID 115499405
2-amino-5-(2-bromo-4-chloroanilino)benzonitrile
CID 115499677

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile?
The IUPAC name of 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile (CID 162352092) is 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile.
What is the SMILES notation for 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile?
The canonical SMILES for 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile is N#Cc1cc(Nc2ccc(N)c(C#N)c2)ccc1N.
What is the InChIKey of 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile?
The InChIKey is XLIQQVKYOGPWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c15-7-9-5-11(1-3-13(9)17)19-12-2-4-14(18)10(6-12)8-16/h1-6,19H,17-18H2.
What are the key properties of 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile?
2-amino-5-(4-amino-3-cyanoanilino)benzonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-amino-3-cyanoanilino)benzonitrile is sourced from PubChem (CID 162352092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).