N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine

C14H20N4S — CID 62279753

IUPACN-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)Cc2ccsc2)nn1
InChIInChI=1S/C14H20N4S/c1-3-7-15-9-13-4-5-14(17-16-13)18(2)10-12-6-8-19-11-12/h4-6,8,11,15H,3,7,9-10H2,1-2H3
InChIKeyPEKIZXACORXGMK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.67
Rot. Bonds7

About N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine

N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine (PubChem CID 62279753) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
PubChem CID62279753
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC NameN-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(C)Cc2ccsc2)nn1
InChIInChI=1S/C14H20N4S/c1-3-7-15-9-13-4-5-14(17-16-13)18(2)10-12-6-8-19-11-12/h4-6,8,11,15H,3,7,9-10H2,1-2H3
InChIKeyPEKIZXACORXGMK-UHFFFAOYSA-N
XLogP2.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 55059703
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279754
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-(propylaminomethyl)pyridazin-3-amine
CID 63025157
N,4,6-trimethyl-3-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62279602
4-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 62280809
N-ethyl-6-(propylaminomethyl)-N-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 62294217
N'-methyl-N-propyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 61386692
N-methyl-N-(oxolan-2-ylmethyl)-6-(propylaminomethyl)pyridazin-3-amine
CID 62294783
N-(4-methoxyphenyl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62294261
N-(1-methoxypropan-2-yl)-N-methyl-6-(propylaminomethyl)pyridazin-3-amine
CID 62283074
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-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine (CID 62279753) is N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine is CCCNCc1ccc(N(C)Cc2ccsc2)nn1.
What is the InChIKey of N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine?
The InChIKey is PEKIZXACORXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-7-15-9-13-4-5-14(17-16-13)18(2)10-12-6-8-19-11-12/h4-6,8,11,15H,3,7,9-10H2,1-2H3.
What are the key properties of N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine?
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine has a molecular weight of 276.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 62279753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).