2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile

C10H14N4O — CID 114395707

IUPAC2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
SMILESCCN(CC)c1cnn(CC#N)c(=O)c1
InChIInChI=1S/C10H14N4O/c1-3-13(4-2)9-7-10(15)14(6-5-11)12-8-9/h7-8H,3-4,6H2,1-2H3
InChIKeyWEYBUWYFGGLSGQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.61
Rot. Bonds4

About 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile

2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile (PubChem CID 114395707) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
PubChem CID114395707
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
SMILESCCN(CC)c1cnn(CC#N)c(=O)c1
InChIInChI=1S/C10H14N4O/c1-3-13(4-2)9-7-10(15)14(6-5-11)12-8-9/h7-8H,3-4,6H2,1-2H3
InChIKeyWEYBUWYFGGLSGQ-UHFFFAOYSA-N
XLogP0.61
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 114396959
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
CID 114397134
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
2-[2-(bromomethyl)pentyl]-5-(diethylamino)pyridazin-3-one
CID 114394356
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 114399063

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile?
The IUPAC name of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile (CID 114395707) is 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile is CCN(CC)c1cnn(CC#N)c(=O)c1.
What is the InChIKey of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile?
The InChIKey is WEYBUWYFGGLSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-13(4-2)9-7-10(15)14(6-5-11)12-8-9/h7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile?
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile has a molecular weight of 206.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile is sourced from PubChem (CID 114395707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).