N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine

C15H22N4S — CID 62280461

IUPACN-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESCC(C)CNCc1ccc(N(C)Cc2cccs2)nn1
InChIInChI=1S/C15H22N4S/c1-12(2)9-16-10-13-6-7-15(18-17-13)19(3)11-14-5-4-8-20-14/h4-8,12,16H,9-11H2,1-3H3
InChIKeyJERVATXPIUZVCI-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.92
Rot. Bonds7

About N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine

N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine (PubChem CID 62280461) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
PubChem CID62280461
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine
SMILESCC(C)CNCc1ccc(N(C)Cc2cccs2)nn1
InChIInChI=1S/C15H22N4S/c1-12(2)9-16-10-13-6-7-15(18-17-13)19(3)11-14-5-4-8-20-14/h4-8,12,16H,9-11H2,1-3H3
InChIKeyJERVATXPIUZVCI-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62422465
2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63059851
5-bromo-N-methyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)aniline
CID 63552450
6-(aminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridazin-3-amine
CID 62284331
N-butan-2-yl-N-ethyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62278695
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 79310788
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylaminomethyl)-N-methylpyridazin-3-amine
CID 62281503
N-cyclopropyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959907
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-methyl-N-[[1-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 63484371

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine (CID 62280461) is N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine is CC(C)CNCc1ccc(N(C)Cc2cccs2)nn1.
What is the InChIKey of N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
The InChIKey is JERVATXPIUZVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-12(2)9-16-10-13-6-7-15(18-17-13)19(3)11-14-5-4-8-20-14/h4-8,12,16H,9-11H2,1-3H3.
What are the key properties of N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine?
N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine has a molecular weight of 290.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 62280461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).