6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine

C10H15N3O2S — CID 117105416

IUPAC6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine
SMILESNc1ccc(CC2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C10H15N3O2S/c11-10-2-1-9(12-13-10)7-8-3-5-16(14,15)6-4-8/h1-2,8H,3-7H2,(H2,11,13)
InChIKeyGSDPNILIJHOHNZ-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.43
Rot. Bonds2

About 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine

6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine (PubChem CID 117105416) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine
PubChem CID117105416
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine
SMILESNc1ccc(CC2CCS(=O)(=O)CC2)nn1
InChIInChI=1S/C10H15N3O2S/c11-10-2-1-9(12-13-10)7-8-3-5-16(14,15)6-4-8/h1-2,8H,3-7H2,(H2,11,13)
InChIKeyGSDPNILIJHOHNZ-UHFFFAOYSA-N
XLogP0.43
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
4-[(5-chloropyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117105423
6-[[(3R)-1-(benzenesulfonyl)piperidin-3-yl]methyl]pyridazin-3-amine
CID 95847201
2-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117129225
4-(2H-tetrazol-5-ylmethyl)thiane 1,1-dioxide
CID 141009426
5-bromo-3-[(1,1-dioxothian-4-yl)methyl]-1H-pyridazin-6-one
CID 117105429
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088136
3-[(6-aminopyridazin-3-yl)methyl]-5-(1,1-difluoroethyl)pyrrolidin-2-one
CID 170339865
[3-[(6-aminopyridazin-3-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110271658
[3-[(1,1-dioxothian-4-yl)methyl]imidazo[1,5-a]pyridin-8-yl]methanamine
CID 117145693
2-[2-(aminomethyl)phenyl]-N-(1,1-dioxothian-4-yl)acetamide
CID 81317741
3-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146384

Frequently Asked Questions

What is the IUPAC name of 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine?
The IUPAC name of 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine (CID 117105416) is 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine.
What is the SMILES notation for 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine?
The canonical SMILES for 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine is Nc1ccc(CC2CCS(=O)(=O)CC2)nn1.
What is the InChIKey of 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine?
The InChIKey is GSDPNILIJHOHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-10-2-1-9(12-13-10)7-8-3-5-16(14,15)6-4-8/h1-2,8H,3-7H2,(H2,11,13).
What are the key properties of 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine?
6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine has a molecular weight of 241.32 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,1-dioxothian-4-yl)methyl]pyridazin-3-amine is sourced from PubChem (CID 117105416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).