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

C11H20N4 — CID 104670150

IUPACN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCc1nnc(C)cc1CNCCNC
InChIInChI=1S/C11H20N4/c1-4-11-10(7-9(2)14-15-11)8-13-6-5-12-3/h7,12-13H,4-6,8H2,1-3H3
InChIKeyYGXDXXPGSMINRK-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.66
Rot. Bonds6

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

N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine (PubChem CID 104670150) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
PubChem CID104670150
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
SMILESCCc1nnc(C)cc1CNCCNC
InChIInChI=1S/C11H20N4/c1-4-11-10(7-9(2)14-15-11)8-13-6-5-12-3/h7,12-13H,4-6,8H2,1-3H3
InChIKeyYGXDXXPGSMINRK-UHFFFAOYSA-N
XLogP0.66
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine?
The IUPAC name of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine (CID 104670150) is N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine is CCc1nnc(C)cc1CNCCNC.
What is the InChIKey of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine?
The InChIKey is YGXDXXPGSMINRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-4-11-10(7-9(2)14-15-11)8-13-6-5-12-3/h7,12-13H,4-6,8H2,1-3H3.
What are the key properties of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine?
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 104670150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).