3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide

C11H10N6O3 — CID 107590008

IUPAC3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
SMILESNNc1cc(C(=O)Nc2cncnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O3/c12-16-9-3-7(1-2-10(9)17(19)20)11(18)15-8-4-13-6-14-5-8/h1-6,16H,12H2,(H,15,18)
InChIKeyUGODITIWFHWUHS-UHFFFAOYSA-N
MW274.24 g/mol
LogP0.92
Rot. Bonds4

About 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide

3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide (PubChem CID 107590008) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
PubChem CID107590008
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
SMILESNNc1cc(C(=O)Nc2cncnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N6O3/c12-16-9-3-7(1-2-10(9)17(19)20)11(18)15-8-4-13-6-14-5-8/h1-6,16H,12H2,(H,15,18)
InChIKeyUGODITIWFHWUHS-UHFFFAOYSA-N
XLogP0.92
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide 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-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
N-(3-chlorophenyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682889
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
4-hydrazinyl-N-(4-methylphenyl)-3-nitrobenzamide
CID 62241983
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65481378
3-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
5-hydroxy-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107588882
3-hydrazinyl-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107590020
N-(3-ethylpentan-3-yl)-3-hydrazinyl-4-nitrobenzamide
CID 65042968
N-(cyclopropylmethyl)-3-hydrazinyl-4-nitrobenzamide
CID 62682327
4-cyano-3-fluoro-N-pyrimidin-5-ylbenzamide
CID 71198890
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide (CID 107590008) is 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide is NNc1cc(C(=O)Nc2cncnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide?
The InChIKey is UGODITIWFHWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c12-16-9-3-7(1-2-10(9)17(19)20)11(18)15-8-4-13-6-14-5-8/h1-6,16H,12H2,(H,15,18).
What are the key properties of 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide?
3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide has a molecular weight of 274.24 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107590008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).