6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide

C12H11N5O3 — CID 62185978

IUPAC6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N)nn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O3/c1-7-6-8(2-4-10(7)17(19)20)14-12(18)9-3-5-11(13)16-15-9/h2-6H,1H3,(H2,13,16)(H,14,18)
InChIKeyJCJULAARHQDPJK-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.53
Rot. Bonds3

About 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide

6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide (PubChem CID 62185978) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide
PubChem CID62185978
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N)nn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H11N5O3/c1-7-6-8(2-4-10(7)17(19)20)14-12(18)9-3-5-11(13)16-15-9/h2-6H,1H3,(H2,13,16)(H,14,18)
InChIKeyJCJULAARHQDPJK-UHFFFAOYSA-N
XLogP1.53
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.53
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

6-amino-N-(4-bromo-3-nitrophenyl)pyridazine-3-carboxamide
CID 79767632
4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62185643
4-amino-2-fluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 107794431
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
6-chloro-N-(4-chloro-3-nitrophenyl)pyridazine-3-carboxamide
CID 61040906
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688
2-[(3-methyl-4-nitrophenyl)carbamoyl]-6-nitrobenzoic acid
CID 4609006
2,2-dimethyl-3-(3-methyl-4-nitroanilino)-3-oxopropanoic acid
CID 82821763
6-amino-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 62155228
1-tert-butyl-3-(3-methyl-4-nitrophenyl)urea
CID 113224570
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide (CID 62185978) is 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(N)nn2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide?
The InChIKey is JCJULAARHQDPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-7-6-8(2-4-10(7)17(19)20)14-12(18)9-3-5-11(13)16-15-9/h2-6H,1H3,(H2,13,16)(H,14,18).
What are the key properties of 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide?
6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-methyl-4-nitrophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 62185978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).