2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid

C13H13N5O4 — CID 175005479

IUPAC2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESNNC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)c(N)c2)o1
InChIInChI=1S/C13H13N5O4/c14-10-5-7(1-3-9(10)12(19)20)11-4-2-8(22-11)6-16-18-13(21)17-15/h1-6H,14-15H2,(H,19,20)(H2,17,18,21)
InChIKeyZAJMEKXBQGRTHS-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.73
Rot. Bonds4

About 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid

2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid (PubChem CID 175005479) has the molecular formula C13H13N5O4 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
PubChem CID175005479
Molecular FormulaC13H13N5O4
Molecular Weight303.28 g/mol
Exact Mass303.10
IUPAC Name2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
SMILESNNC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)c(N)c2)o1
InChIInChI=1S/C13H13N5O4/c14-10-5-7(1-3-9(10)12(19)20)11-4-2-8(22-11)6-16-18-13(21)17-15/h1-6H,14-15H2,(H,19,20)(H2,17,18,21)
InChIKeyZAJMEKXBQGRTHS-UHFFFAOYSA-N
XLogP0.73
TPSA155.97 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoate
CID 141475171
4-[5-[(E)-(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]-N-methylbenzamide
CID 141475173
2-chloro-4-[5-[[(2-methylphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3269130
2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126048390
4-[5-[[(4-bromobenzoyl)hydrazinylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 4060449
2-chloro-5-[5-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5445831
5-[5-[[(2-methoxyphenyl)carbamoylhydrazinylidene]methyl]furan-2-yl]-2-methylbenzoic acid
CID 3267718
4-[5-[(E)-(acetylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 17389017
2-chloro-4-[5-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3429403
2-chloro-5-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126267693
2-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 97312608
4-[5-[(E)-(benzo[e][1]benzofuran-2-carbonylhydrazinylidene)methyl]furan-2-yl]-2-methylbenzoic acid
CID 73254282

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid (CID 175005479) is 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid is NNC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)c(N)c2)o1.
What is the InChIKey of 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
The InChIKey is ZAJMEKXBQGRTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4/c14-10-5-7(1-3-9(10)12(19)20)11-4-2-8(22-11)6-16-18-13(21)17-15/h1-6H,14-15H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid?
2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid has a molecular weight of 303.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[5-[(hydrazinecarbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 175005479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).