6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide

C12H11N5O3 — CID 62503346

IUPAC6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)nn1
InChIInChI=1S/C12H11N5O3/c13-11-5-4-10(15-16-11)12(18)14-7-8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H2,13,16)(H,14,18)
InChIKeyTUXJUOVZHKTYEZ-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.90
Rot. Bonds4

About 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide

6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide (PubChem CID 62503346) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
PubChem CID62503346
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
SMILESNc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)nn1
InChIInChI=1S/C12H11N5O3/c13-11-5-4-10(15-16-11)12(18)14-7-8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H2,13,16)(H,14,18)
InChIKeyTUXJUOVZHKTYEZ-UHFFFAOYSA-N
XLogP0.90
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 62503690
5-iodo-N-[(3-nitrophenyl)methyl]thiophene-3-carboxamide
CID 78948474
2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
6-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62239653
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide
CID 79192767
2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 62308259
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
N-benzyl-3-nitro(11C)benzamide
CID 71606846

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide (CID 62503346) is 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide is Nc1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)nn1.
What is the InChIKey of 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is TUXJUOVZHKTYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c13-11-5-4-10(15-16-11)12(18)14-7-8-2-1-3-9(6-8)17(19)20/h1-6H,7H2,(H2,13,16)(H,14,18).
What are the key properties of 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide?
6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 62503346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).