N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine

C14H22N6 — CID 63025157

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)Cc2nccn2C)nn1
InChIInChI=1S/C14H22N6/c1-4-7-15-10-12-5-6-13(18-17-12)20(3)11-14-16-8-9-19(14)2/h5-6,8-9,15H,4,7,10-11H2,1-3H3
InChIKeyHUJSBHWJZWRVEG-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.35
Rot. Bonds7

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine (PubChem CID 63025157) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
PubChem CID63025157
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)Cc2nccn2C)nn1
InChIInChI=1S/C14H22N6/c1-4-7-15-10-12-5-6-13(18-17-12)20(3)11-14-16-8-9-19(14)2/h5-6,8-9,15H,4,7,10-11H2,1-3H3
InChIKeyHUJSBHWJZWRVEG-UHFFFAOYSA-N
XLogP1.35
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
CID 107380056
6-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridazin-3-amine
CID 63025331
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyrazin-2-amine
CID 66451087
5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridin-2-amine
CID 63024811
N-(furan-3-ylmethyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 55059703
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753
N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 63026882
N-[[5-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781688
5-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(propylaminomethyl)pyridin-2-amine
CID 63025670
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-propylpentane-1,5-diamine
CID 63024492
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
N-(1-ethylpiperidin-4-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294145

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine (CID 63025157) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine is CCCNCc1ccc(N(C)Cc2nccn2C)nn1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine?
The InChIKey is HUJSBHWJZWRVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-4-7-15-10-12-5-6-13(18-17-12)20(3)11-14-16-8-9-19(14)2/h5-6,8-9,15H,4,7,10-11H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine has a molecular weight of 274.37 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine is sourced from PubChem (CID 63025157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).