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

C8H12N4O2 — CID 103218468

IUPAC2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide
SMILESCNc1cnn(C(C)C(N)=O)c(=O)c1
InChIInChI=1S/C8H12N4O2/c1-5(8(9)14)12-7(13)3-6(10-2)4-11-12/h3-5,10H,1-2H3,(H2,9,14)
InChIKeyOAJXSIWPADGCPX-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.67
Rot. Bonds3

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

2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide (PubChem CID 103218468) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide
PubChem CID103218468
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide
SMILESCNc1cnn(C(C)C(N)=O)c(=O)c1
InChIInChI=1S/C8H12N4O2/c1-5(8(9)14)12-7(13)3-6(10-2)4-11-12/h3-5,10H,1-2H3,(H2,9,14)
InChIKeyOAJXSIWPADGCPX-UHFFFAOYSA-N
XLogP-0.67
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide (CID 103218468) is 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide is CNc1cnn(C(C)C(N)=O)c(=O)c1.
What is the InChIKey of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is OAJXSIWPADGCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5(8(9)14)12-7(13)3-6(10-2)4-11-12/h3-5,10H,1-2H3,(H2,9,14).
What are the key properties of 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide?
2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 196.21 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylamino)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 103218468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).