6-(thian-3-ylmethyl)pyridazine-3,4-diamine

C10H16N4S — CID 117106261

IUPAC6-(thian-3-ylmethyl)pyridazine-3,4-diamine
SMILESNc1cc(CC2CCCSC2)nnc1N
InChIInChI=1S/C10H16N4S/c11-9-5-8(13-14-10(9)12)4-7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H2,11,13)(H2,12,14)
InChIKeySDUFSRUMWNADIU-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.33
Rot. Bonds2

About 6-(thian-3-ylmethyl)pyridazine-3,4-diamine

6-(thian-3-ylmethyl)pyridazine-3,4-diamine (PubChem CID 117106261) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 6-(thian-3-ylmethyl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(thian-3-ylmethyl)pyridazine-3,4-diamine
PubChem CID117106261
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name6-(thian-3-ylmethyl)pyridazine-3,4-diamine
SMILESNc1cc(CC2CCCSC2)nnc1N
InChIInChI=1S/C10H16N4S/c11-9-5-8(13-14-10(9)12)4-7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H2,11,13)(H2,12,14)
InChIKeySDUFSRUMWNADIU-UHFFFAOYSA-N
XLogP1.33
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(thian-3-ylmethyl)pyridazine-3,4-diamine?
The IUPAC name of 6-(thian-3-ylmethyl)pyridazine-3,4-diamine (CID 117106261) is 6-(thian-3-ylmethyl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(thian-3-ylmethyl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(thian-3-ylmethyl)pyridazine-3,4-diamine is Nc1cc(CC2CCCSC2)nnc1N.
What is the InChIKey of 6-(thian-3-ylmethyl)pyridazine-3,4-diamine?
The InChIKey is SDUFSRUMWNADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-9-5-8(13-14-10(9)12)4-7-2-1-3-15-6-7/h5,7H,1-4,6H2,(H2,11,13)(H2,12,14).
What are the key properties of 6-(thian-3-ylmethyl)pyridazine-3,4-diamine?
6-(thian-3-ylmethyl)pyridazine-3,4-diamine has a molecular weight of 224.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thian-3-ylmethyl)pyridazine-3,4-diamine is sourced from PubChem (CID 117106261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).