2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

C7H9N3O — CID 71743739

IUPAC2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]ncc2c1CCCN2
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)4-9-10-7/h4,8H,1-3H2,(H,10,11)
InChIKeyCKDHLZMKLQRZRZ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.13
Rot. Bonds

About 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one

2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 71743739) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
PubChem CID71743739
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
SMILESO=c1[nH]ncc2c1CCCN2
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)4-9-10-7/h4,8H,1-3H2,(H,10,11)
InChIKeyCKDHLZMKLQRZRZ-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one (CID 71743739) is 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is O=c1[nH]ncc2c1CCCN2.
What is the InChIKey of 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is CKDHLZMKLQRZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)4-9-10-7/h4,8H,1-3H2,(H,10,11).
What are the key properties of 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one?
2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 151.17 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 71743739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).