2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile

C9H12N4O — CID 103218740

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCCC(C#N)n1ncc(NC)cc1=O
InChIInChI=1S/C9H12N4O/c1-3-8(5-10)13-9(14)4-7(11-2)6-12-13/h4,6,8,11H,3H2,1-2H3
InChIKeyLWSVJUJZGBJZNU-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.76
Rot. Bonds3

About 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile

2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile (PubChem CID 103218740) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
PubChem CID103218740
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile
SMILESCCC(C#N)n1ncc(NC)cc1=O
InChIInChI=1S/C9H12N4O/c1-3-8(5-10)13-9(14)4-7(11-2)6-12-13/h4,6,8,11H,3H2,1-2H3
InChIKeyLWSVJUJZGBJZNU-UHFFFAOYSA-N
XLogP0.76
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-propan-2-ylpyridazin-3-one
CID 20513821
N-(1-methyl-6-oxopyridazin-4-yl)propanamide
CID 170387108
5-(Ethylamino)-2-methylpyridazin-3-one
CID 10487061
5-(Cyclopropylamino)-2-methylpyridazin-3-one
CID 84075865
5-(Dimethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073050
5-(Dimethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073053
5-[Ethyl(methyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073078
5-[Ethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073079
5-(Diethylamino)-2-[2-(ethylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073081
5-(Diethylamino)-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073084
5-(Diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073085
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile (CID 103218740) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile is CCC(C#N)n1ncc(NC)cc1=O.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
The InChIKey is LWSVJUJZGBJZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-8(5-10)13-9(14)4-7(11-2)6-12-13/h4,6,8,11H,3H2,1-2H3.
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile?
2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile has a molecular weight of 192.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-6-oxopyridazin-1-yl]butanenitrile is sourced from PubChem (CID 103218740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).