6-(thian-4-ylmethyl)pyridazin-4-amine

C10H15N3S — CID 117105435

IUPAC6-(thian-4-ylmethyl)pyridazin-4-amine
SMILESNc1cnnc(CC2CCSCC2)c1
InChIInChI=1S/C10H15N3S/c11-9-6-10(13-12-7-9)5-8-1-3-14-4-2-8/h6-8H,1-5H2,(H2,11,13)
InChIKeyKTQKLZUWYQUFNU-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.74
Rot. Bonds2

About 6-(thian-4-ylmethyl)pyridazin-4-amine

6-(thian-4-ylmethyl)pyridazin-4-amine (PubChem CID 117105435) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-(thian-4-ylmethyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-(thian-4-ylmethyl)pyridazin-4-amine
PubChem CID117105435
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-(thian-4-ylmethyl)pyridazin-4-amine
SMILESNc1cnnc(CC2CCSCC2)c1
InChIInChI=1S/C10H15N3S/c11-9-6-10(13-12-7-9)5-8-1-3-14-4-2-8/h6-8H,1-5H2,(H2,11,13)
InChIKeyKTQKLZUWYQUFNU-UHFFFAOYSA-N
XLogP1.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-ethylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105485
6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105486
4-bromo-3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105520
1-methyl-3-(thian-4-ylmethyl)pyrazole-5-carboxylic acid
CID 115092425
[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]methanamine
CID 115088124
3-methoxy-6-(thian-4-ylmethyl)pyridazine
CID 117105517
5-bromo-3-(piperidin-4-ylmethyl)pyridazine
CID 117105469
2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088155
4-[(5-chloropyridazin-3-yl)methyl]thiane 1,1-dioxide
CID 117105423
6-(thian-3-ylmethyl)pyridazine-3,4-diamine
CID 117106261
[2-(thian-4-ylmethyl)-3H-benzimidazol-5-yl]methanamine
CID 83135372
5-(thian-4-yl)-1,2,4-triazin-3-amine
CID 105450174

Frequently Asked Questions

What is the IUPAC name of 6-(thian-4-ylmethyl)pyridazin-4-amine?
The IUPAC name of 6-(thian-4-ylmethyl)pyridazin-4-amine (CID 117105435) is 6-(thian-4-ylmethyl)pyridazin-4-amine.
What is the SMILES notation for 6-(thian-4-ylmethyl)pyridazin-4-amine?
The canonical SMILES for 6-(thian-4-ylmethyl)pyridazin-4-amine is Nc1cnnc(CC2CCSCC2)c1.
What is the InChIKey of 6-(thian-4-ylmethyl)pyridazin-4-amine?
The InChIKey is KTQKLZUWYQUFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c11-9-6-10(13-12-7-9)5-8-1-3-14-4-2-8/h6-8H,1-5H2,(H2,11,13).
What are the key properties of 6-(thian-4-ylmethyl)pyridazin-4-amine?
6-(thian-4-ylmethyl)pyridazin-4-amine has a molecular weight of 209.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(thian-4-ylmethyl)pyridazin-4-amine is sourced from PubChem (CID 117105435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).