4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine

C14H20N4S — CID 79470373

IUPAC4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
SMILESCc1nnc(N(C)CCc2cccs2)c(CN)c1C
InChIInChI=1S/C14H20N4S/c1-10-11(2)16-17-14(13(10)9-15)18(3)7-6-12-5-4-8-19-12/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyDYUNWXAVRAEPOK-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.29
Rot. Bonds5

About 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine

4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine (PubChem CID 79470373) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
PubChem CID79470373
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine
SMILESCc1nnc(N(C)CCc2cccs2)c(CN)c1C
InChIInChI=1S/C14H20N4S/c1-10-11(2)16-17-14(13(10)9-15)18(3)7-6-12-5-4-8-19-12/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyDYUNWXAVRAEPOK-UHFFFAOYSA-N
XLogP2.29
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2,5-trimethyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80849972
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106963020
4-(aminomethyl)-N,5,6-trimethyl-N-[(4-methylphenyl)methyl]pyridazin-3-amine
CID 61098823
4-chloro-N-methyl-N-(2-thiophen-2-ylethyl)phthalazin-1-amine
CID 79487719
2-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-4-amine
CID 79470815
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
2-(aminomethyl)-N,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 114016664
5-amino-6-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxamide
CID 114406981
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
4,6-dimethyl-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboxylic acid
CID 79494614
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
The IUPAC name of 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine (CID 79470373) is 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine.
What is the SMILES notation for 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
The canonical SMILES for 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine is Cc1nnc(N(C)CCc2cccs2)c(CN)c1C.
What is the InChIKey of 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
The InChIKey is DYUNWXAVRAEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-11(2)16-17-14(13(10)9-15)18(3)7-6-12-5-4-8-19-12/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine?
4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine has a molecular weight of 276.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,5,6-trimethyl-N-(2-thiophen-2-ylethyl)pyridazin-3-amine is sourced from PubChem (CID 79470373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).