4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile

C14H20N4O — CID 103221934

IUPAC4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C14H20N4O/c1-14(2,10-15)5-6-18-13(19)7-12(9-17-18)16-8-11-3-4-11/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyXJXPGFURZSLKRS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds6

About 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile

4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile (PubChem CID 103221934) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
PubChem CID103221934
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile
SMILESCC(C)(C#N)CCn1ncc(NCC2CC2)cc1=O
InChIInChI=1S/C14H20N4O/c1-14(2,10-15)5-6-18-13(19)7-12(9-17-18)16-8-11-3-4-11/h7,9,11,16H,3-6,8H2,1-2H3
InChIKeyXJXPGFURZSLKRS-UHFFFAOYSA-N
XLogP2.01
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile (CID 103221934) is 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile is CC(C)(C#N)CCn1ncc(NCC2CC2)cc1=O.
What is the InChIKey of 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
The InChIKey is XJXPGFURZSLKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,10-15)5-6-18-13(19)7-12(9-17-18)16-8-11-3-4-11/h7,9,11,16H,3-6,8H2,1-2H3.
What are the key properties of 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile?
4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile has a molecular weight of 260.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 103221934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).