4-(cyclopentylamino)-3,5-dinitrobenzohydrazide

C12H15N5O5 — CID 132593891

IUPAC4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c(NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N5O5/c13-15-12(18)7-5-9(16(19)20)11(10(6-7)17(21)22)14-8-3-1-2-4-8/h5-6,8,14H,1-4,13H2,(H,15,18)
InChIKeyAPRRVRDQKFTBBS-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.46
Rot. Bonds5

About 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide

4-(cyclopentylamino)-3,5-dinitrobenzohydrazide (PubChem CID 132593891) has the molecular formula C12H15N5O5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide.

Molecular Properties

Compound Name4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
PubChem CID132593891
Molecular FormulaC12H15N5O5
Molecular Weight309.28 g/mol
Exact Mass309.11
IUPAC Name4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c(NC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H15N5O5/c13-15-12(18)7-5-9(16(19)20)11(10(6-7)17(21)22)14-8-3-1-2-4-8/h5-6,8,14H,1-4,13H2,(H,15,18)
InChIKeyAPRRVRDQKFTBBS-UHFFFAOYSA-N
XLogP1.46
TPSA153.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide 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

4-(2,6-dimethylpiperidin-1-yl)-3,5-dinitrobenzohydrazide
CID 132593791
4-(cyclopentylamino)-N-ethyl-3-nitrobenzamide
CID 82989614
N-hydroxy-4-[(2-methylcyclohexyl)amino]-3,5-dinitrobenzamide
CID 132593728
4-anilino-3,5-dinitrobenzohydrazide
CID 132593734
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
CID 132593851
3-chloro-N-cyclopropyl-4-hydrazinyl-5-nitrobenzamide
CID 62236284
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
ethyl 4-(cyclopentylamino)-3-nitrobenzoate
CID 86240601
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
methyl 2-(cyclopentylamino)-3,5-dinitrobenzoate
CID 47807843
4-morpholin-4-yl-3,5-dinitrobenzohydrazide
CID 132593751

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide?
The IUPAC name of 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide (CID 132593891) is 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide.
What is the SMILES notation for 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide?
The canonical SMILES for 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide is NNC(=O)c1cc([N+](=O)[O-])c(NC2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide?
The InChIKey is APRRVRDQKFTBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O5/c13-15-12(18)7-5-9(16(19)20)11(10(6-7)17(21)22)14-8-3-1-2-4-8/h5-6,8,14H,1-4,13H2,(H,15,18).
What are the key properties of 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide?
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide has a molecular weight of 309.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-3,5-dinitrobenzohydrazide is sourced from PubChem (CID 132593891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).