azane;formic acid;4-nitroaniline

C7H11N3O4 — CID 175013455

IUPACazane;formic acid;4-nitroaniline
SMILESN.Nc1ccc([N+](=O)[O-])cc1.O=CO
InChIInChI=1S/C6H6N2O2.CH2O2.H3N/c7-5-1-3-6(4-2-5)8(9)10;2-1-3;/h1-4H,7H2;1H,(H,2,3);1H3
InChIKeyBLPCQINASVZKBU-UHFFFAOYSA-N
MW201.18 g/mol
LogP1.04
Rot. Bonds1

About azane;formic acid;4-nitroaniline

azane;formic acid;4-nitroaniline (PubChem CID 175013455) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is azane;formic acid;4-nitroaniline.

Molecular Properties

Compound Nameazane;formic acid;4-nitroaniline
PubChem CID175013455
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Nameazane;formic acid;4-nitroaniline
SMILESN.Nc1ccc([N+](=O)[O-])cc1.O=CO
InChIInChI=1S/C6H6N2O2.CH2O2.H3N/c7-5-1-3-6(4-2-5)8(9)10;2-1-3;/h1-4H,7H2;1H,(H,2,3);1H3
InChIKeyBLPCQINASVZKBU-UHFFFAOYSA-N
XLogP1.04
TPSA141.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze azane;formic acid;4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
arsoric acid;tris(4-nitroaniline)
CID 175201940
dihydroxy(oxo)phosphanium;4-nitroaniline
CID 174379615
4-nitroaniline;perchloric acid
CID 86177986
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
formic acid;1-nitro-4-[(4-nitrophenyl)disulfanyl]benzene
CID 158646352
1-nitro-4-[tris(4-nitrophenyl)methyl]benzene;4-[tris(4-aminophenyl)methyl]aniline
CID 162034271
azane;bis[[2-(4-aminophenoxy)acetyl]oxymethyl] hexanedioate;bis[[2-(4-nitrophenoxy)acetyl]oxymethyl] hexanedioate;formic acid
CID 159172699
1-(4-aminophenyl)ethanone;1-(4-nitrophenyl)ethanone
CID 174531319
3-(4-aminophenyl)-4-(4-nitrophenyl)hexane-2,5-dione
CID 91547791

Frequently Asked Questions

What is the IUPAC name of azane;formic acid;4-nitroaniline?
The IUPAC name of azane;formic acid;4-nitroaniline (CID 175013455) is azane;formic acid;4-nitroaniline.
What is the SMILES notation for azane;formic acid;4-nitroaniline?
The canonical SMILES for azane;formic acid;4-nitroaniline is N.Nc1ccc([N+](=O)[O-])cc1.O=CO.
What is the InChIKey of azane;formic acid;4-nitroaniline?
The InChIKey is BLPCQINASVZKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.CH2O2.H3N/c7-5-1-3-6(4-2-5)8(9)10;2-1-3;/h1-4H,7H2;1H,(H,2,3);1H3.
What are the key properties of azane;formic acid;4-nitroaniline?
azane;formic acid;4-nitroaniline has a molecular weight of 201.18 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;formic acid;4-nitroaniline is sourced from PubChem (CID 175013455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).