5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one

C7H9N3O — CID 71743927

IUPAC5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one
SMILESO=c1[nH]ncc2c1CNCC2
InChIInChI=1S/C7H9N3O/c11-7-6-4-8-2-1-5(6)3-9-10-7/h3,8H,1-2,4H2,(H,10,11)
InChIKeyMCBKUGZKABHAKP-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.58
Rot. Bonds

About 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one

5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 71743927) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID71743927
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one
SMILESO=c1[nH]ncc2c1CNCC2
InChIInChI=1S/C7H9N3O/c11-7-6-4-8-2-1-5(6)3-9-10-7/h3,8H,1-2,4H2,(H,10,11)
InChIKeyMCBKUGZKABHAKP-UHFFFAOYSA-N
XLogP-0.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one (CID 71743927) is 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one is O=c1[nH]ncc2c1CNCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is MCBKUGZKABHAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-6-4-8-2-1-5(6)3-9-10-7/h3,8H,1-2,4H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one?
5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 151.17 g/mol, XLogP of -0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 71743927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).