5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one

C10H13N3OS — CID 70692684

IUPAC5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(C(C)C)c(=O)c2c(N)scc12
InChIInChI=1S/C10H13N3OS/c1-5(2)13-10(14)8-7(6(3)12-13)4-15-9(8)11/h4-5H,11H2,1-3H3
InChIKeyFVNIGTBUJFNTSD-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.93
Rot. Bonds1

About 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one

5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one (PubChem CID 70692684) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
PubChem CID70692684
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one
SMILESCc1nn(C(C)C)c(=O)c2c(N)scc12
InChIInChI=1S/C10H13N3OS/c1-5(2)13-10(14)8-7(6(3)12-13)4-15-9(8)11/h4-5H,11H2,1-3H3
InChIKeyFVNIGTBUJFNTSD-UHFFFAOYSA-N
XLogP1.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
The IUPAC name of 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one (CID 70692684) is 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
The canonical SMILES for 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one is Cc1nn(C(C)C)c(=O)c2c(N)scc12.
What is the InChIKey of 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
The InChIKey is FVNIGTBUJFNTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-5(2)13-10(14)8-7(6(3)12-13)4-15-9(8)11/h4-5H,11H2,1-3H3.
What are the key properties of 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one?
5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one has a molecular weight of 223.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3-propan-2-ylthieno[3,4-d]pyridazin-4-one is sourced from PubChem (CID 70692684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).