5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine

C10H15N3S — CID 106430263

IUPAC5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine
SMILESC=CCSCCNc1cc(C)cnn1
InChIInChI=1S/C10H15N3S/c1-3-5-14-6-4-11-10-7-9(2)8-12-13-10/h3,7-8H,1,4-6H2,2H3,(H,11,13)
InChIKeyDATICMJBWUDYBL-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.12
Rot. Bonds6

About 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine

5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine (PubChem CID 106430263) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine
PubChem CID106430263
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine
SMILESC=CCSCCNc1cc(C)cnn1
InChIInChI=1S/C10H15N3S/c1-3-5-14-6-4-11-10-7-9(2)8-12-13-10/h3,7-8H,1,4-6H2,2H3,(H,11,13)
InChIKeyDATICMJBWUDYBL-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N1-(pyridazin-3-yl)ethane-1,2-diamine
CID 22118660
N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
CID 167420830
4-(aminomethyl)-N-methylpyridazin-3-amine
CID 46848806
4-(aminomethyl)-N-ethylpyridazin-3-amine
CID 46848808
4-(aminomethyl)-N-propylpyridazin-3-amine
CID 46848810
4-(aminomethyl)-N-butylpyridazin-3-amine
CID 46848812
N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 79040501
3-(3,3,3-Trifluoropropylamino)pyridazine-4-carbothioamide
CID 80511907
N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
CID 103702662
5-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
CID 105940246

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine?
The IUPAC name of 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine (CID 106430263) is 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine is C=CCSCCNc1cc(C)cnn1.
What is the InChIKey of 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine?
The InChIKey is DATICMJBWUDYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-5-14-6-4-11-10-7-9(2)8-12-13-10/h3,7-8H,1,4-6H2,2H3,(H,11,13).
What are the key properties of 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine?
5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine has a molecular weight of 209.32 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-prop-2-enylsulfanylethyl)pyridazin-3-amine is sourced from PubChem (CID 106430263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).