3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide

C12H11N5O3 — CID 80514173

IUPAC3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C12H11N5O3/c1-7-9(17(18)19)3-2-4-10(7)20-12-8(11(13)14)5-6-15-16-12/h2-6H,1H3,(H3,13,14)
InChIKeyKCYRUEWFUXYTTG-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.77
Rot. Bonds4

About 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide

3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide (PubChem CID 80514173) has the molecular formula C12H11N5O3 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
PubChem CID80514173
Molecular FormulaC12H11N5O3
Molecular Weight273.25 g/mol
Exact Mass273.09
IUPAC Name3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnnc1Oc1cccc([N+](=O)[O-])c1C
InChIInChI=1S/C12H11N5O3/c1-7-9(17(18)19)3-2-4-10(7)20-12-8(11(13)14)5-6-15-16-12/h2-6H,1H3,(H3,13,14)
InChIKeyKCYRUEWFUXYTTG-UHFFFAOYSA-N
XLogP1.77
TPSA128.02 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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
2-(2-nitrophenoxy)pyridine-3-carboximidamide
CID 54915747
6-(2-methyl-3-nitrophenoxy)pyridine-3-carboximidamide
CID 61032434
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 80510977
2-(2-nitrophenoxy)pyridine-3-carboximidamide;hydrochloride
CID 82240737
3-(2-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80513986
3-(2-bromo-3-nitrophenoxy)-N'-hydroxypyridazine-4-carboximidamide
CID 136952046
3-(2,3,6-trimethylphenoxy)pyridazine-4-carboximidamide
CID 80514283
3-[(2-methyl-3-nitrophenoxy)methyl]pyridine-2-carboximidamide
CID 62893728
3-methoxypyridazine-4-carboximidamide
CID 80514231
2-(2,5-difluoro-4-nitrophenoxy)pyridine-3-carboximidamide
CID 63599016
3-(4-bromo-3,5-dimethylphenoxy)pyridazine-4-carboximidamide
CID 107724658

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide?
The IUPAC name of 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide (CID 80514173) is 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide.
What is the SMILES notation for 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide?
The canonical SMILES for 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide is [H]/N=C(\N)c1ccnnc1Oc1cccc([N+](=O)[O-])c1C.
What is the InChIKey of 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide?
The InChIKey is KCYRUEWFUXYTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3/c1-7-9(17(18)19)3-2-4-10(7)20-12-8(11(13)14)5-6-15-16-12/h2-6H,1H3,(H3,13,14).
What are the key properties of 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide?
3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide has a molecular weight of 273.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3-nitrophenoxy)pyridazine-4-carboximidamide is sourced from PubChem (CID 80514173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).