2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine

C11H20N4 — CID 104670185

IUPAC2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine
SMILESCCc1nnc(C)cc1CNC(C)CN
InChIInChI=1S/C11H20N4/c1-4-11-10(5-8(2)14-15-11)7-13-9(3)6-12/h5,9,13H,4,6-7,12H2,1-3H3
InChIKeyTVYGMOAVSUOTJJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.78
Rot. Bonds5

About 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine

2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine (PubChem CID 104670185) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine
PubChem CID104670185
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine
SMILESCCc1nnc(C)cc1CNC(C)CN
InChIInChI=1S/C11H20N4/c1-4-11-10(5-8(2)14-15-11)7-13-9(3)6-12/h5,9,13H,4,6-7,12H2,1-3H3
InChIKeyTVYGMOAVSUOTJJ-UHFFFAOYSA-N
XLogP0.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 104670206
4-(bromomethyl)-3-ethyl-6-methylpyridazine
CID 104671100
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
CID 104670250
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
CID 104670150
N-[(3,6-dimethylpyridazin-4-yl)methyl]propan-2-amine
CID 104670093
(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553095
(2R)-2-N-[(2-methylphenyl)methyl]propane-1,2-diamine
CID 104867967
1-N-tert-butyl-2-N-[(3,6-dimethylpyridazin-4-yl)methyl]propane-1,2-diamine
CID 104670200
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
(2R)-2-N-[(2-methylsulfanylphenyl)methyl]propane-1,2-diamine
CID 104867977
(2S)-2-N-[(5-methyl-1H-pyrazol-3-yl)methyl]propane-1,2-diamine
CID 104867583

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine (CID 104670185) is 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine is CCc1nnc(C)cc1CNC(C)CN.
What is the InChIKey of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine?
The InChIKey is TVYGMOAVSUOTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-11-10(5-8(2)14-15-11)7-13-9(3)6-12/h5,9,13H,4,6-7,12H2,1-3H3.
What are the key properties of 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine?
2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104670185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).