[3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide

C13H11N6O+ — CID 176766473

IUPAC[3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide
SMILESN#[N+]c1cccc(NC(=O)Nc2cccc([NH+]=[N-])c2)c1
InChIInChI=1S/C13H10N6O/c14-18-11-5-1-3-9(7-11)16-13(20)17-10-4-2-6-12(8-10)19-15/h1-8,18H,(H-,16,17,20)/p+1
InChIKeyALKWUBUIARBCBT-UHFFFAOYSA-O
MW267.27 g/mol
LogP2.55
Rot. Bonds3

About [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide

[3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide (PubChem CID 176766473) has the molecular formula C13H11N6O+ and a molecular weight of 267.27 g/mol. Its IUPAC name is [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide.

Molecular Properties

Compound Name[3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide
PubChem CID176766473
Molecular FormulaC13H11N6O+
Molecular Weight267.27 g/mol
Exact Mass267.10
IUPAC Name[3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide
SMILESN#[N+]c1cccc(NC(=O)Nc2cccc([NH+]=[N-])c2)c1
InChIInChI=1S/C13H10N6O/c14-18-11-5-1-3-9(7-11)16-13(20)17-10-4-2-6-12(8-10)19-15/h1-8,18H,(H-,16,17,20)/p+1
InChIKeyALKWUBUIARBCBT-UHFFFAOYSA-O
XLogP2.55
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

tetrakis(3-acetamidobenzenediazonium);acetic acid;tetrakis(N-(3-aminophenyl)acetamide);tetrachloride
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1-(3-aminophenyl)-3-(3,5-difluorophenyl)urea
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1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
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1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
1-(4-aminophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 57445000
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
3-[(3-aminophenyl)carbamoylamino]propanamide
CID 43553830
CID 123176042
CID 123176042

Frequently Asked Questions

What is the IUPAC name of [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide?
The IUPAC name of [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide (CID 176766473) is [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide.
What is the SMILES notation for [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide?
The canonical SMILES for [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide is N#[N+]c1cccc(NC(=O)Nc2cccc([NH+]=[N-])c2)c1.
What is the InChIKey of [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide?
The InChIKey is ALKWUBUIARBCBT-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10N6O/c14-18-11-5-1-3-9(7-11)16-13(20)17-10-4-2-6-12(8-10)19-15/h1-8,18H,(H-,16,17,20)/p+1.
What are the key properties of [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide?
[3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide has a molecular weight of 267.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-diazoniophenyl)carbamoylamino]phenyl]azaniumylideneazanide is sourced from PubChem (CID 176766473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).