(N-(4-aminophenyl)anilino)azaniumylideneazanide

C12H12N4 — CID 23316008

IUPAC(N-(4-aminophenyl)anilino)azaniumylideneazanide
SMILES[N-]=[NH+]N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C12H12N4/c13-10-6-8-12(9-7-10)16(15-14)11-4-2-1-3-5-11/h1-9,15H,13H2
InChIKeyHCFHMTNUPRXZMC-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.42
Rot. Bonds3

About (N-(4-aminophenyl)anilino)azaniumylideneazanide

(N-(4-aminophenyl)anilino)azaniumylideneazanide (PubChem CID 23316008) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is (N-(4-aminophenyl)anilino)azaniumylideneazanide.

Molecular Properties

Compound Name(N-(4-aminophenyl)anilino)azaniumylideneazanide
PubChem CID23316008
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name(N-(4-aminophenyl)anilino)azaniumylideneazanide
SMILES[N-]=[NH+]N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C12H12N4/c13-10-6-8-12(9-7-10)16(15-14)11-4-2-1-3-5-11/h1-9,15H,13H2
InChIKeyHCFHMTNUPRXZMC-UHFFFAOYSA-N
XLogP1.42
TPSA65.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837
4-[4-(N-methylanilino)phenyl]aniline
CID 21015508
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
4-[N-(diethylamino)anilino]aniline
CID 174589778
4-N-phenyl-4-N-(1-phenylethyl)benzene-1,4-diamine
CID 67775594
3-(4-aminophenyl)-N,N-diphenylaniline
CID 155173574
N-(4-aminophenyl)-N-(N-phenylanilino)formamide
CID 19353740
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
4-(N-(4-aminophenoxy)anilino)oxyaniline
CID 87583777

Frequently Asked Questions

What is the IUPAC name of (N-(4-aminophenyl)anilino)azaniumylideneazanide?
The IUPAC name of (N-(4-aminophenyl)anilino)azaniumylideneazanide (CID 23316008) is (N-(4-aminophenyl)anilino)azaniumylideneazanide.
What is the SMILES notation for (N-(4-aminophenyl)anilino)azaniumylideneazanide?
The canonical SMILES for (N-(4-aminophenyl)anilino)azaniumylideneazanide is [N-]=[NH+]N(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of (N-(4-aminophenyl)anilino)azaniumylideneazanide?
The InChIKey is HCFHMTNUPRXZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c13-10-6-8-12(9-7-10)16(15-14)11-4-2-1-3-5-11/h1-9,15H,13H2.
What are the key properties of (N-(4-aminophenyl)anilino)azaniumylideneazanide?
(N-(4-aminophenyl)anilino)azaniumylideneazanide has a molecular weight of 212.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-(4-aminophenyl)anilino)azaniumylideneazanide is sourced from PubChem (CID 23316008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).