7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one

C13H17N3O — CID 176653755

IUPAC7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one
SMILESCC(C)C1=C2N=CC=CC2C(=O)NN1C1CC1
InChIInChI=1S/C13H17N3O/c1-8(2)12-11-10(4-3-7-14-11)13(17)15-16(12)9-5-6-9/h3-4,7-10H,5-6H2,1-2H3,(H,15,17)
InChIKeyJVABLKWECDCDEK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.62
Rot. Bonds2

About 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one

7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one (PubChem CID 176653755) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one
PubChem CID176653755
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one
SMILESCC(C)C1=C2N=CC=CC2C(=O)NN1C1CC1
InChIInChI=1S/C13H17N3O/c1-8(2)12-11-10(4-3-7-14-11)13(17)15-16(12)9-5-6-9/h3-4,7-10H,5-6H2,1-2H3,(H,15,17)
InChIKeyJVABLKWECDCDEK-UHFFFAOYSA-N
XLogP1.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one (CID 176653755) is 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one is CC(C)C1=C2N=CC=CC2C(=O)NN1C1CC1.
What is the InChIKey of 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one?
The InChIKey is JVABLKWECDCDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8(2)12-11-10(4-3-7-14-11)13(17)15-16(12)9-5-6-9/h3-4,7-10H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one?
7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one has a molecular weight of 231.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-8-propan-2-yl-4a,6-dihydropyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 176653755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).