2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide

C10H15N5O3 — CID 145125005

IUPAC2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide
SMILESNCCCN(N)C(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C10H15N5O3/c11-4-1-5-14(13)10(16)8-3-2-7(15(17)18)6-9(8)12/h2-3,6H,1,4-5,11-13H2
InChIKeyGQFRMKYVSAUSNX-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.16
Rot. Bonds5

About 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide

2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide (PubChem CID 145125005) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide.

Molecular Properties

Compound Name2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide
PubChem CID145125005
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide
SMILESNCCCN(N)C(=O)c1ccc([N+](=O)[O-])cc1N
InChIInChI=1S/C10H15N5O3/c11-4-1-5-14(13)10(16)8-3-2-7(15(17)18)6-9(8)12/h2-3,6H,1,4-5,11-13H2
InChIKeyGQFRMKYVSAUSNX-UHFFFAOYSA-N
XLogP-0.16
TPSA141.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-but-3-ynyl-4-nitrobenzohydrazide
CID 145124974
2-amino-N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzohydrazide
CID 142979326
2-amino-N-[(Z)-3-amino-4-(N-amino-4-tert-butylanilino)but-3-enyl]-4-nitrobenzohydrazide
CID 145125040
N-(2-aminoethyl)-N,2-dimethyl-4-nitrobenzamide
CID 62682941
2-amino-4-nitrobenzohydrazide
CID 3575645
N-(3-aminopropyl)-2-methoxy-N-methyl-4-nitrobenzamide
CID 104783869
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-amino-N-methyl-4-nitrobenzenecarbothiohydrazide
CID 145125100
[(2-amino-4-nitrophenyl)-carboxymethylidene]-methylazanium
CID 145476793
1-(2-amino-4-nitrophenyl)-2-hydroxy-2-(4-nitrophenyl)ethanone
CID 175319505
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
CID 139822137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide?
The IUPAC name of 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide (CID 145125005) is 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide.
What is the SMILES notation for 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide?
The canonical SMILES for 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide is NCCCN(N)C(=O)c1ccc([N+](=O)[O-])cc1N.
What is the InChIKey of 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide?
The InChIKey is GQFRMKYVSAUSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c11-4-1-5-14(13)10(16)8-3-2-7(15(17)18)6-9(8)12/h2-3,6H,1,4-5,11-13H2.
What are the key properties of 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide?
2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide has a molecular weight of 253.26 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-aminopropyl)-4-nitrobenzohydrazide is sourced from PubChem (CID 145125005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).