2-(4-amino-6-oxopyridazin-1-yl)acetonitrile

C6H6N4O — CID 103218174

IUPAC2-(4-amino-6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N)cc1=O
InChIInChI=1S/C6H6N4O/c7-1-2-10-6(11)3-5(8)4-9-10/h3-4H,2,8H2
InChIKeyYAAFEGATFUEQFB-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.65
Rot. Bonds1

About 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile

2-(4-amino-6-oxopyridazin-1-yl)acetonitrile (PubChem CID 103218174) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-6-oxopyridazin-1-yl)acetonitrile
PubChem CID103218174
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name2-(4-amino-6-oxopyridazin-1-yl)acetonitrile
SMILESN#CCn1ncc(N)cc1=O
InChIInChI=1S/C6H6N4O/c7-1-2-10-6(11)3-5(8)4-9-10/h3-4H,2,8H2
InChIKeyYAAFEGATFUEQFB-UHFFFAOYSA-N
XLogP-0.65
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-methyl-2,3-dihydropyridazin-3-one
CID 10558626
5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
2-Methyl-5-(methylamino)pyridazin-3(2H)-one
CID 10510928
2-(4-Amino-6-oxopyridazin-1-yl)acetamide
CID 84652947
5-Amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
5-Amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206
5-Amino-2-propylpyridazin-3-one
CID 103218210
5-Amino-2-[2-(diethylamino)ethyl]pyridazin-3-one
CID 103218248
5-Amino-2-butylpyridazin-3-one
CID 103218271
5-Amino-2-ethylpyridazin-3-one
CID 103218288
5-Amino-2-prop-2-ynylpyridazin-3-one
CID 103218293

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile?
The IUPAC name of 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile (CID 103218174) is 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile is N#CCn1ncc(N)cc1=O.
What is the InChIKey of 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile?
The InChIKey is YAAFEGATFUEQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-1-2-10-6(11)3-5(8)4-9-10/h3-4H,2,8H2.
What are the key properties of 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile?
2-(4-amino-6-oxopyridazin-1-yl)acetonitrile has a molecular weight of 150.14 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-oxopyridazin-1-yl)acetonitrile is sourced from PubChem (CID 103218174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).