4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine

C12H16N4S — CID 80508987

IUPAC4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
SMILESCC(c1cccs1)N(C)c1nnccc1CN
InChIInChI=1S/C12H16N4S/c1-9(11-4-3-7-17-11)16(2)12-10(8-13)5-6-14-15-12/h3-7,9H,8,13H2,1-2H3
InChIKeyDHYHBICNZOOQBH-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.19
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine

4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine (PubChem CID 80508987) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
PubChem CID80508987
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
SMILESCC(c1cccs1)N(C)c1nnccc1CN
InChIInChI=1S/C12H16N4S/c1-9(11-4-3-7-17-11)16(2)12-10(8-13)5-6-14-15-12/h3-7,9H,8,13H2,1-2H3
InChIKeyDHYHBICNZOOQBH-UHFFFAOYSA-N
XLogP2.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N,5-dimethyl-N-(1-thiophen-2-ylethyl)aniline
CID 62308654
6-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine
CID 62286701
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)pyridazin-3-amine
CID 80507390
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 54980749
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 54980987
4-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridazin-3-amine
CID 80509129
3-[(1R)-1-aminoethyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 114055989
3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 105389308
4-(aminomethyl)-3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 107055661
6-chloro-2-ethyl-N,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80972540
4-N,5-dimethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80804482
4-N,5-dimethyl-2-propan-2-yl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80987613

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine (CID 80508987) is 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine is CC(c1cccs1)N(C)c1nnccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine?
The InChIKey is DHYHBICNZOOQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-9(11-4-3-7-17-11)16(2)12-10(8-13)5-6-14-15-12/h3-7,9H,8,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine?
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine has a molecular weight of 248.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)pyridazin-3-amine is sourced from PubChem (CID 80508987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).