2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile

C10H11N3O — CID 65492606

IUPAC2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H11N3O/c11-6-5-10(3-4-10)8-13-9(14)2-1-7-12-13/h1-2,7H,3-5,8H2
InChIKeyWNMLCIJBEYBGGF-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.94
Rot. Bonds3

About 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 65492606) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
PubChem CID65492606
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H11N3O/c11-6-5-10(3-4-10)8-13-9(14)2-1-7-12-13/h1-2,7H,3-5,8H2
InChIKeyWNMLCIJBEYBGGF-UHFFFAOYSA-N
XLogP0.94
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile (CID 65492606) is 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2ncccc2=O)CC1.
What is the InChIKey of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is WNMLCIJBEYBGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-6-5-10(3-4-10)8-13-9(14)2-1-7-12-13/h1-2,7H,3-5,8H2.
What are the key properties of 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(6-oxopyridazin-1-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65492606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).