3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide

C11H17ClN4O2 — CID 113222231

IUPAC3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-7(2)15-9(17)4-5-13-8-6-14-16(3)11(18)10(8)12/h6-7,13H,4-5H2,1-3H3,(H,15,17)
InChIKeyFWLAPZZYOXKAGM-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.76
Rot. Bonds5

About 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide (PubChem CID 113222231) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
PubChem CID113222231
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O2/c1-7(2)15-9(17)4-5-13-8-6-14-16(3)11(18)10(8)12/h6-7,13H,4-5H2,1-3H3,(H,15,17)
InChIKeyFWLAPZZYOXKAGM-UHFFFAOYSA-N
XLogP0.76
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide (CID 113222231) is 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
The InChIKey is FWLAPZZYOXKAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-7(2)15-9(17)4-5-13-8-6-14-16(3)11(18)10(8)12/h6-7,13H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide?
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide has a molecular weight of 272.74 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113222231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).