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

C10H13N3S — CID 106430681

IUPAC5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine
SMILESC#CCSCCNc1cc(C)cnn1
InChIInChI=1S/C10H13N3S/c1-3-5-14-6-4-11-10-7-9(2)8-12-13-10/h1,7-8H,4-6H2,2H3,(H,11,13)
InChIKeyKTDGPOOJCUHUIW-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.56
Rot. Bonds5

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

5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine (PubChem CID 106430681) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine.

Molecular Properties

Compound Name5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine
PubChem CID106430681
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine
SMILESC#CCSCCNc1cc(C)cnn1
InChIInChI=1S/C10H13N3S/c1-3-5-14-6-4-11-10-7-9(2)8-12-13-10/h1,7-8H,4-6H2,2H3,(H,11,13)
InChIKeyKTDGPOOJCUHUIW-UHFFFAOYSA-N
XLogP1.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethylpyridazin-3-amine
CID 12446652
3-Butylaminopyridazine
CID 62483243
N-propan-2-yl-5-(trifluoromethyl)pyridazin-3-amine
CID 167420830
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-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
CID 103702662
5-methyl-N-(4,4,4-trifluorobutan-2-yl)pyridazin-3-amine
CID 105940246
5-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine
CID 106294280
3-[2-(Trifluoromethylsulfanyl)ethylamino]pyridazine-4-carbonitrile
CID 106428687
3-[2-(Trifluoromethylsulfanyl)ethylamino]pyridazine-4-carbothioamide
CID 106428950
5-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-amine
CID 106431167

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine?
The IUPAC name of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine (CID 106430681) is 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine.
What is the SMILES notation for 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine?
The canonical SMILES for 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine is C#CCSCCNc1cc(C)cnn1.
What is the InChIKey of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine?
The InChIKey is KTDGPOOJCUHUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-3-5-14-6-4-11-10-7-9(2)8-12-13-10/h1,7-8H,4-6H2,2H3,(H,11,13).
What are the key properties of 5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine?
5-methyl-N-(2-prop-2-ynylsulfanylethyl)pyridazin-3-amine has a molecular weight of 207.30 g/mol, XLogP of 1.56, 5 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-ynylsulfanylethyl)pyridazin-3-amine is sourced from PubChem (CID 106430681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).