N-(1-methyl-6-oxopyridazin-4-yl)propanamide

C8H11N3O2 — CID 170387108

IUPACN-(1-methyl-6-oxopyridazin-4-yl)propanamide
SMILESCCC(=O)Nc1cnn(C)c(=O)c1
InChIInChI=1S/C8H11N3O2/c1-3-7(12)10-6-4-8(13)11(2)9-5-6/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyCILWPSHMCQQDKX-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.13
Rot. Bonds2

About N-(1-methyl-6-oxopyridazin-4-yl)propanamide

N-(1-methyl-6-oxopyridazin-4-yl)propanamide (PubChem CID 170387108) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(1-methyl-6-oxopyridazin-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopyridazin-4-yl)propanamide
PubChem CID170387108
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(1-methyl-6-oxopyridazin-4-yl)propanamide
SMILESCCC(=O)Nc1cnn(C)c(=O)c1
InChIInChI=1S/C8H11N3O2/c1-3-7(12)10-6-4-8(13)11(2)9-5-6/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyCILWPSHMCQQDKX-UHFFFAOYSA-N
XLogP0.13
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopyridazin-4-yl)propanamide?
The IUPAC name of N-(1-methyl-6-oxopyridazin-4-yl)propanamide (CID 170387108) is N-(1-methyl-6-oxopyridazin-4-yl)propanamide.
What is the SMILES notation for N-(1-methyl-6-oxopyridazin-4-yl)propanamide?
The canonical SMILES for N-(1-methyl-6-oxopyridazin-4-yl)propanamide is CCC(=O)Nc1cnn(C)c(=O)c1.
What is the InChIKey of N-(1-methyl-6-oxopyridazin-4-yl)propanamide?
The InChIKey is CILWPSHMCQQDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-7(12)10-6-4-8(13)11(2)9-5-6/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of N-(1-methyl-6-oxopyridazin-4-yl)propanamide?
N-(1-methyl-6-oxopyridazin-4-yl)propanamide has a molecular weight of 181.19 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopyridazin-4-yl)propanamide is sourced from PubChem (CID 170387108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).