2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane

C9H13N3S — CID 144655757

IUPAC2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane
SMILESCCC.Cc1nc2cnncc2s1
InChIInChI=1S/C6H5N3S.C3H8/c1-4-9-5-2-7-8-3-6(5)10-4;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyIQNCTGSINGSJQS-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.81
Rot. Bonds

About 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane

2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane (PubChem CID 144655757) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane.

Molecular Properties

Compound Name2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane
PubChem CID144655757
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane
SMILESCCC.Cc1nc2cnncc2s1
InChIInChI=1S/C6H5N3S.C3H8/c1-4-9-5-2-7-8-3-6(5)10-4;1-3-2/h2-3H,1H3;3H2,1-2H3
InChIKeyIQNCTGSINGSJQS-UHFFFAOYSA-N
XLogP2.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane?
The IUPAC name of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane (CID 144655757) is 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane.
What is the SMILES notation for 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane?
The canonical SMILES for 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane is CCC.Cc1nc2cnncc2s1.
What is the InChIKey of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane?
The InChIKey is IQNCTGSINGSJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3S.C3H8/c1-4-9-5-2-7-8-3-6(5)10-4;1-3-2/h2-3H,1H3;3H2,1-2H3.
What are the key properties of 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane?
2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane has a molecular weight of 195.29 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]thiazolo[4,5-d]pyridazine;propane is sourced from PubChem (CID 144655757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).