2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine

C12H14N4 — CID 106894773

IUPAC2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
SMILESCc1c(N)cccc1NCc1cccnn1
InChIInChI=1S/C12H14N4/c1-9-11(13)5-2-6-12(9)14-8-10-4-3-7-15-16-10/h2-7,14H,8,13H2,1H3
InChIKeyJUEYVDRQLKEYTE-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds3

About 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine

2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine (PubChem CID 106894773) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
PubChem CID106894773
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine
SMILESCc1c(N)cccc1NCc1cccnn1
InChIInChI=1S/C12H14N4/c1-9-11(13)5-2-6-12(9)14-8-10-4-3-7-15-16-10/h2-7,14H,8,13H2,1H3
InChIKeyJUEYVDRQLKEYTE-UHFFFAOYSA-N
XLogP1.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-nitro-N-(pyridazin-3-ylmethyl)aniline
CID 106896610
2-methyl-4-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894769
2-amino-3-(pyridazin-3-ylmethylamino)benzonitrile
CID 106894766
ethyl 2-amino-3-(pyridazin-3-ylmethylamino)benzoate
CID 106897550
2-methyl-3-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzene-1,3-diamine
CID 63063434
2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 63078164
2-methyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-diamine
CID 55146226
2-fluoro-1-N-(pyridazin-3-ylmethyl)benzene-1,4-diamine
CID 106894891
2-N-(pyridazin-3-ylmethyl)pyrimidine-2,5-diamine
CID 106894789
4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
CID 106894872
2,6-dimethyl-4-(pyridazin-3-ylmethylamino)pyridine-3-carbothioamide
CID 106896306
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine (CID 106894773) is 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine is Cc1c(N)cccc1NCc1cccnn1.
What is the InChIKey of 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine?
The InChIKey is JUEYVDRQLKEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-9-11(13)5-2-6-12(9)14-8-10-4-3-7-15-16-10/h2-7,14H,8,13H2,1H3.
What are the key properties of 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine?
2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine has a molecular weight of 214.27 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(pyridazin-3-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 106894773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).