1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione

C10H13N3O2 — CID 122697183

IUPAC1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
SMILESCC(C)c1n[nH]c(=O)c2c1CCNC2=O
InChIInChI=1S/C10H13N3O2/c1-5(2)8-6-3-4-11-9(14)7(6)10(15)13-12-8/h5H,3-4H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyMWHKZNPROFESRV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.18
Rot. Bonds1

About 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione

1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione (PubChem CID 122697183) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione.

Molecular Properties

Compound Name1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
PubChem CID122697183
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione
SMILESCC(C)c1n[nH]c(=O)c2c1CCNC2=O
InChIInChI=1S/C10H13N3O2/c1-5(2)8-6-3-4-11-9(14)7(6)10(15)13-12-8/h5H,3-4H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyMWHKZNPROFESRV-UHFFFAOYSA-N
XLogP0.18
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The IUPAC name of 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione (CID 122697183) is 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione.
What is the SMILES notation for 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The canonical SMILES for 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione is CC(C)c1n[nH]c(=O)c2c1CCNC2=O.
What is the InChIKey of 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
The InChIKey is MWHKZNPROFESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-5(2)8-6-3-4-11-9(14)7(6)10(15)13-12-8/h5H,3-4H2,1-2H3,(H,11,14)(H,13,15).
What are the key properties of 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione?
1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione has a molecular weight of 207.23 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3,6,7,8-tetrahydropyrido[3,4-d]pyridazine-4,5-dione is sourced from PubChem (CID 122697183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).