2-(6-oxopyridazin-1-yl)acetonitrile

C6H5N3O — CID 62849601

IUPAC2-(6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncccc1=O
InChIInChI=1S/C6H5N3O/c7-3-5-9-6(10)2-1-4-8-9/h1-2,4H,5H2
InChIKeyWICZQUJZQNZFKL-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.23
Rot. Bonds1

About 2-(6-oxopyridazin-1-yl)acetonitrile

2-(6-oxopyridazin-1-yl)acetonitrile (PubChem CID 62849601) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2-(6-oxopyridazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(6-oxopyridazin-1-yl)acetonitrile
PubChem CID62849601
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2-(6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncccc1=O
InChIInChI=1S/C6H5N3O/c7-3-5-9-6(10)2-1-4-8-9/h1-2,4H,5H2
InChIKeyWICZQUJZQNZFKL-UHFFFAOYSA-N
XLogP-0.23
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(fluoromethyl)pyridazin-3-one
CID 140988504
4-[(6-oxopyridazin-1-yl)methyl]benzonitrile
CID 62849779
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
N-(2-cyanoethyl)-N-methyl-3-(6-oxopyridazin-1-yl)propanamide
CID 62850678
3-(6-oxopyridazin-1-yl)propanoic acid
CID 62850301
2-[(4-bromophenyl)methyl]pyridazin-3-one
CID 55209830
2-(4-aminobut-2-enyl)pyridazin-3-one
CID 77110417
2-(pyridin-3-ylmethyl)pyridazin-3-one
CID 126857261
2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridazin-3-one
CID 177327559
2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 62850666
2-(2-aminobutyl)pyridazin-3-one
CID 62850307
2-phenacylpyridazin-3-one
CID 62851024

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyridazin-1-yl)acetonitrile?
The IUPAC name of 2-(6-oxopyridazin-1-yl)acetonitrile (CID 62849601) is 2-(6-oxopyridazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(6-oxopyridazin-1-yl)acetonitrile?
The canonical SMILES for 2-(6-oxopyridazin-1-yl)acetonitrile is N#CCn1ncccc1=O.
What is the InChIKey of 2-(6-oxopyridazin-1-yl)acetonitrile?
The InChIKey is WICZQUJZQNZFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-3-5-9-6(10)2-1-4-8-9/h1-2,4H,5H2.
What are the key properties of 2-(6-oxopyridazin-1-yl)acetonitrile?
2-(6-oxopyridazin-1-yl)acetonitrile has a molecular weight of 135.13 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyridazin-1-yl)acetonitrile is sourced from PubChem (CID 62849601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).