6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine

C10H15N3S — CID 80586610

IUPAC6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine
SMILESCc1ccc(NCC2CCCS2)nn1
InChIInChI=1S/C10H15N3S/c1-8-4-5-10(13-12-8)11-7-9-3-2-6-14-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyHTLKRQAWTAZYFU-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.09
Rot. Bonds3

About 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine

6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine (PubChem CID 80586610) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine
PubChem CID80586610
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine
SMILESCc1ccc(NCC2CCCS2)nn1
InChIInChI=1S/C10H15N3S/c1-8-4-5-10(13-12-8)11-7-9-3-2-6-14-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,13)
InChIKeyHTLKRQAWTAZYFU-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine?
The IUPAC name of 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine (CID 80586610) is 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine is Cc1ccc(NCC2CCCS2)nn1.
What is the InChIKey of 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine?
The InChIKey is HTLKRQAWTAZYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-4-5-10(13-12-8)11-7-9-3-2-6-14-9/h4-5,9H,2-3,6-7H2,1H3,(H,11,13).
What are the key properties of 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine?
6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine has a molecular weight of 209.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(thiolan-2-ylmethyl)pyridazin-3-amine is sourced from PubChem (CID 80586610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).