5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one

C7H9N3O — CID 12582762

IUPAC5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCNC2
InChIInChI=1S/C7H9N3O/c11-7-3-5-4-8-2-1-6(5)9-10-7/h3,8H,1-2,4H2,(H,10,11)
InChIKeyIIIDPTXDTHOYRK-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.58
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one

5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 12582762) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
PubChem CID12582762
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(n[nH]1)CCNC2
InChIInChI=1S/C7H9N3O/c11-7-3-5-4-8-2-1-6(5)9-10-7/h3,8H,1-2,4H2,(H,10,11)
InChIKeyIIIDPTXDTHOYRK-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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Related Compounds

2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253327
2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 12582763
6-ethyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one
CID 62783851
2-methyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755383
2-ethyl-2H,3H,5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-one hydrochloride
CID 71755459
4,6-Dimethyl-2,5,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 134987217
2-ethyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 63253865
2-(2-fluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 121199744
6-acetyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
CID 91811912
5,6,13-Triazatricyclo[7.3.1.02,7]trideca-2,6-dien-4-one;hydrochloride
CID 23453905
5,6,13-Triazatricyclo[7.3.1.02,7]trideca-2,6-dien-4-one
CID 23453906
4,8-dimethyl-5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one;hydrochloride
CID 23464665

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one (CID 12582762) is 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one is O=c1cc2c(n[nH]1)CCNC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is IIIDPTXDTHOYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-3-5-4-8-2-1-6(5)9-10-7/h3,8H,1-2,4H2,(H,10,11).
What are the key properties of 5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-one?
5,6,7,8-tetrahydro-2H-pyrido[4,3-c]pyridazin-3-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-2H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 12582762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).