6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine

C13H14N4O2 — CID 103112008

IUPAC6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine
SMILESCc1ccc(NCc2cccc([N+](=O)[O-])c2C)nn1
InChIInChI=1S/C13H14N4O2/c1-9-6-7-13(16-15-9)14-8-11-4-3-5-12(10(11)2)17(18)19/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyREFABMJYRJMAOV-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.61
Rot. Bonds4

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

6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine (PubChem CID 103112008) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine
PubChem CID103112008
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine
SMILESCc1ccc(NCc2cccc([N+](=O)[O-])c2C)nn1
InChIInChI=1S/C13H14N4O2/c1-9-6-7-13(16-15-9)14-8-11-4-3-5-12(10(11)2)17(18)19/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyREFABMJYRJMAOV-UHFFFAOYSA-N
XLogP2.61
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 103113863
2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 103112013
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
6-chloro-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 106196938
N-[(2-methyl-3-nitrophenyl)methyl]-5-nitropyrimidin-2-amine
CID 103111976
6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
CID 103112015
3,5-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509012
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
2-fluoro-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509006
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitroaniline
CID 103696951
3-bromo-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509001

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine (CID 103112008) is 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine is Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)nn1.
What is the InChIKey of 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine?
The InChIKey is REFABMJYRJMAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-6-7-13(16-15-9)14-8-11-4-3-5-12(10(11)2)17(18)19/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine?
6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine has a molecular weight of 258.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 103112008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).