5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one

C10H11N3O — CID 90334258

IUPAC5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESCC(C)c1nncc2[nH]c(=O)ccc12
InChIInChI=1S/C10H11N3O/c1-6(2)10-7-3-4-9(14)12-8(7)5-11-13-10/h3-6H,1-2H3,(H,12,14)
InChIKeySTBYUBVMDODRDK-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.44
Rot. Bonds1

About 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one

5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one (PubChem CID 90334258) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one
PubChem CID90334258
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one
SMILESCC(C)c1nncc2[nH]c(=O)ccc12
InChIInChI=1S/C10H11N3O/c1-6(2)10-7-3-4-9(14)12-8(7)5-11-13-10/h3-6H,1-2H3,(H,12,14)
InChIKeySTBYUBVMDODRDK-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one?
The IUPAC name of 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one (CID 90334258) is 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one.
What is the SMILES notation for 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one?
The canonical SMILES for 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one is CC(C)c1nncc2[nH]c(=O)ccc12.
What is the InChIKey of 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one?
The InChIKey is STBYUBVMDODRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6(2)10-7-3-4-9(14)12-8(7)5-11-13-10/h3-6H,1-2H3,(H,12,14).
What are the key properties of 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one?
5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one has a molecular weight of 189.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-pyrido[2,3-d]pyridazin-2-one is sourced from PubChem (CID 90334258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).