3-(6-oxopyridazin-1-yl)propanenitrile

C7H7N3O — CID 566024

IUPAC3-(6-oxopyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncccc1=O
InChIInChI=1S/C7H7N3O/c8-4-2-6-10-7(11)3-1-5-9-10/h1,3,5H,2,6H2
InChIKeyKYPVCZXECRTCNL-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.16
Rot. Bonds2

About 3-(6-oxopyridazin-1-yl)propanenitrile

3-(6-oxopyridazin-1-yl)propanenitrile (PubChem CID 566024) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-(6-oxopyridazin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(6-oxopyridazin-1-yl)propanenitrile
PubChem CID566024
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-(6-oxopyridazin-1-yl)propanenitrile
SMILESN#CCCn1ncccc1=O
InChIInChI=1S/C7H7N3O/c8-4-2-6-10-7(11)3-1-5-9-10/h1,3,5H,2,6H2
InChIKeyKYPVCZXECRTCNL-UHFFFAOYSA-N
XLogP0.16
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-oxopyridazin-1-yl)propanenitrile?
The IUPAC name of 3-(6-oxopyridazin-1-yl)propanenitrile (CID 566024) is 3-(6-oxopyridazin-1-yl)propanenitrile.
What is the SMILES notation for 3-(6-oxopyridazin-1-yl)propanenitrile?
The canonical SMILES for 3-(6-oxopyridazin-1-yl)propanenitrile is N#CCCn1ncccc1=O.
What is the InChIKey of 3-(6-oxopyridazin-1-yl)propanenitrile?
The InChIKey is KYPVCZXECRTCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-4-2-6-10-7(11)3-1-5-9-10/h1,3,5H,2,6H2.
What are the key properties of 3-(6-oxopyridazin-1-yl)propanenitrile?
3-(6-oxopyridazin-1-yl)propanenitrile has a molecular weight of 149.15 g/mol, XLogP of 0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxopyridazin-1-yl)propanenitrile is sourced from PubChem (CID 566024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).