4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid

C9H10N4O2 — CID 5356929

IUPAC4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
SMILESNC(N)=N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H10N4O2/c10-9(11)13-12-5-6-1-3-7(4-2-6)8(14)15/h1-5H,(H,14,15)(H4,10,11,13)/b12-5-
InChIKeyRAQABEGPTYMRTN-XGICHPGQSA-N
MW206.21 g/mol
LogP-0.01
Rot. Bonds3

About 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid

4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid (PubChem CID 5356929) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
PubChem CID5356929
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
SMILESNC(N)=N/N=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C9H10N4O2/c10-9(11)13-12-5-6-1-3-7(4-2-6)8(14)15/h1-5H,(H,14,15)(H4,10,11,13)/b12-5-
InChIKeyRAQABEGPTYMRTN-XGICHPGQSA-N
XLogP-0.01
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(benzhydrylidenehydrazinylidene)methyl]benzoic acid
CID 2495897
3-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]prop-2-enoic acid
CID 54041306
4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 6115254
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylideneamino]guanidine
CID 168591843
3-[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenyl]propanoic acid
CID 5474676
[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate
CID 45146424
2-[(E)-(4-phenylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880611
1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 148941526
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 89220059
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
3-[(diaminomethylidenehydrazinylidene)methyl]-5-methoxybenzoic acid
CID 168592799

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid?
The IUPAC name of 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid (CID 5356929) is 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid is NC(N)=N/N=C\c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid?
The InChIKey is RAQABEGPTYMRTN-XGICHPGQSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-9(11)13-12-5-6-1-3-7(4-2-6)8(14)15/h1-5H,(H,14,15)(H4,10,11,13)/b12-5-.
What are the key properties of 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid?
4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid has a molecular weight of 206.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 5356929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).