5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine

C10H17N3S — CID 106549990

IUPAC5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
SMILESCCC(CSC)Nc1cc(C)cnn1
InChIInChI=1S/C10H17N3S/c1-4-9(7-14-3)12-10-5-8(2)6-11-13-10/h5-6,9H,4,7H2,1-3H3,(H,12,13)
InChIKeyQUVFONREQHLGKN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.34
Rot. Bonds5

About 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine

5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine (PubChem CID 106549990) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
PubChem CID106549990
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine
SMILESCCC(CSC)Nc1cc(C)cnn1
InChIInChI=1S/C10H17N3S/c1-4-9(7-14-3)12-10-5-8(2)6-11-13-10/h5-6,9H,4,7H2,1-3H3,(H,12,13)
InChIKeyQUVFONREQHLGKN-UHFFFAOYSA-N
XLogP2.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methylpyridazin-3-yl)amino]pentan-1-ol
CID 106549992
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115899298
4-methyl-2-N-(5-methylpyridazin-3-yl)pentane-1,2-diamine
CID 106550178
3-methoxy-2-N-(5-methylpyridazin-3-yl)propane-1,2-diamine
CID 106182176
5-methyl-N-(5-methylhexan-2-yl)pyridazin-3-amine
CID 106549770
N-heptan-2-yl-5-methylpyridazin-3-amine
CID 106549626
N-(1-ethoxypropan-2-yl)-5-methylpyridazin-3-amine
CID 106549675
2-methyl-6-(1-methylsulfanylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767990
N-(2,2-difluoroethyl)-5-methylpyridazin-3-amine
CID 106549890
N,5-dimethylpyridazin-3-amine;ethane
CID 143330447
1-cyclopropyl-N-(5-methylpyridazin-3-yl)ethane-1,2-diamine
CID 106550192
6-chloro-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 115899327

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
The IUPAC name of 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine (CID 106549990) is 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine is CCC(CSC)Nc1cc(C)cnn1.
What is the InChIKey of 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
The InChIKey is QUVFONREQHLGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-9(7-14-3)12-10-5-8(2)6-11-13-10/h5-6,9H,4,7H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine?
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine has a molecular weight of 211.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 106549990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).