6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine

C11H10N4O2S — CID 15032611

IUPAC6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine
SMILESNc1ccc(SCc2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C11H10N4O2S/c12-10-5-6-11(14-13-10)18-7-8-3-1-2-4-9(8)15(16)17/h1-6H,7H2,(H2,12,13)
InChIKeySWKAITSWJPGUEG-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.26
Rot. Bonds4

About 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine

6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine (PubChem CID 15032611) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine
PubChem CID15032611
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine
SMILESNc1ccc(SCc2ccccc2[N+](=O)[O-])nn1
InChIInChI=1S/C11H10N4O2S/c12-10-5-6-11(14-13-10)18-7-8-3-1-2-4-9(8)15(16)17/h1-6H,7H2,(H2,12,13)
InChIKeySWKAITSWJPGUEG-UHFFFAOYSA-N
XLogP2.26
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
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

4-[(2-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 43300122
(2-nitrophenyl)methyl thiohypofluorite
CID 156702153
1-tert-butyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 35189833
6-[(2-fluoro-3-nitrophenyl)methylsulfanyl]pyridin-3-amine
CID 107349608
1-methyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 900999
2-[(2-nitrophenyl)methylsulfanyl]ethanamine
CID 24697543
2-[(2-nitrophenyl)methylsulfanyl]benzaldehyde
CID 139661430
3-[(2-nitrophenyl)methylsulfanyl]-1-phenyl-1,2,4-triazole
CID 42493442
3-[(2-nitrophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 727587
2-[(2-nitrophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215169
4-methyl-2-[(2-nitrophenyl)methylsulfanyl]-1,3-thiazole
CID 47096369
5-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62187535

Frequently Asked Questions

What is the IUPAC name of 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine?
The IUPAC name of 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine (CID 15032611) is 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine?
The canonical SMILES for 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine is Nc1ccc(SCc2ccccc2[N+](=O)[O-])nn1.
What is the InChIKey of 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine?
The InChIKey is SWKAITSWJPGUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-10-5-6-11(14-13-10)18-7-8-3-1-2-4-9(8)15(16)17/h1-6H,7H2,(H2,12,13).
What are the key properties of 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine?
6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine has a molecular weight of 262.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-nitrophenyl)methylsulfanyl]pyridazin-3-amine is sourced from PubChem (CID 15032611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).