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

C12H22N4 — CID 104670228

IUPACN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCc1nnc(C)cc1CN(C)CCNC
InChIInChI=1S/C12H22N4/c1-5-12-11(8-10(2)14-15-12)9-16(4)7-6-13-3/h8,13H,5-7,9H2,1-4H3
InChIKeyMCNXVIDWTPTQKO-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.00
Rot. Bonds6

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

N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 104670228) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID104670228
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCCc1nnc(C)cc1CN(C)CCNC
InChIInChI=1S/C12H22N4/c1-5-12-11(8-10(2)14-15-12)9-16(4)7-6-13-3/h8,13H,5-7,9H2,1-4H3
InChIKeyMCNXVIDWTPTQKO-UHFFFAOYSA-N
XLogP1.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N-methylethane-1,2-diamine
CID 104670150
4-(bromomethyl)-3-ethyl-6-methylpyridazine
CID 104671100
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 79584745
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,3-diamine
CID 104670250
N'-[(5-bromo-2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374438
N,N'-dimethyl-N'-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 120843617
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 82893709
2-N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]propane-1,2-diamine
CID 104670185
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
3-ethyl-N-(2-hydroxyethyl)-N,6-dimethylpyridazine-4-carboxamide
CID 104625488

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 104670228) is N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CCc1nnc(C)cc1CN(C)CCNC.
What is the InChIKey of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is MCNXVIDWTPTQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-5-12-11(8-10(2)14-15-12)9-16(4)7-6-13-3/h8,13H,5-7,9H2,1-4H3.
What are the key properties of N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 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,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 104670228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).