[3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide

C13H10N6O-2 — CID 176766511

IUPAC[3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide
SMILES[N-]=Nc1cccc(NC(=O)Nc2cccc(N=[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/h1-8H,(H2,16,17,20)/q-2
InChIKeyCPQWHHCMKKDYOX-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.64
Rot. Bonds4

About [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide

[3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide (PubChem CID 176766511) has the molecular formula C13H10N6O-2 and a molecular weight of 266.26 g/mol. Its IUPAC name is [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide.

Molecular Properties

Compound Name[3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide
PubChem CID176766511
Molecular FormulaC13H10N6O-2
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name[3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide
SMILES[N-]=Nc1cccc(NC(=O)Nc2cccc(N=[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/h1-8H,(H2,16,17,20)/q-2
InChIKeyCPQWHHCMKKDYOX-UHFFFAOYSA-N
XLogP4.64
TPSA110.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide?
The IUPAC name of [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide (CID 176766511) is [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide.
What is the SMILES notation for [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide?
The canonical SMILES for [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide is [N-]=Nc1cccc(NC(=O)Nc2cccc(N=[N-])c2)c1.
What is the InChIKey of [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide?
The InChIKey is CPQWHHCMKKDYOX-UHFFFAOYSA-N. 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/h1-8H,(H2,16,17,20)/q-2.
What are the key properties of [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide?
[3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide has a molecular weight of 266.26 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(azanidylideneamino)phenyl]carbamoylamino]phenyl]iminoazanide is sourced from PubChem (CID 176766511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).