7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one

C13H15N5O2 — CID 171630766

IUPAC7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one
SMILESCn1nc(C(=O)N2CCNCC2)c2cccnc2c1=O
InChIInChI=1S/C13H15N5O2/c1-17-12(19)10-9(3-2-4-15-10)11(16-17)13(20)18-7-5-14-6-8-18/h2-4,14H,5-8H2,1H3
InChIKeyDUZZIDUTDYWPCT-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.63
Rot. Bonds1

About 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one

7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one (PubChem CID 171630766) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one
PubChem CID171630766
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one
SMILESCn1nc(C(=O)N2CCNCC2)c2cccnc2c1=O
InChIInChI=1S/C13H15N5O2/c1-17-12(19)10-9(3-2-4-15-10)11(16-17)13(20)18-7-5-14-6-8-18/h2-4,14H,5-8H2,1H3
InChIKeyDUZZIDUTDYWPCT-UHFFFAOYSA-N
XLogP-0.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one (CID 171630766) is 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one is Cn1nc(C(=O)N2CCNCC2)c2cccnc2c1=O.
What is the InChIKey of 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one?
The InChIKey is DUZZIDUTDYWPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-17-12(19)10-9(3-2-4-15-10)11(16-17)13(20)18-7-5-14-6-8-18/h2-4,14H,5-8H2,1H3.
What are the key properties of 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one?
7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one has a molecular weight of 273.30 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(piperazine-1-carbonyl)pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 171630766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).