N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide

C11H18N4O3 — CID 103218574

IUPACN-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCNc1cnn(CC(=O)NC(C)COC)c(=O)c1
InChIInChI=1S/C11H18N4O3/c1-8(7-18-3)14-10(16)6-15-11(17)4-9(12-2)5-13-15/h4-5,8,12H,6-7H2,1-3H3,(H,14,16)
InChIKeyCJGNBHYBSLVAAH-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.56
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide

N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 103218574) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID103218574
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCNc1cnn(CC(=O)NC(C)COC)c(=O)c1
InChIInChI=1S/C11H18N4O3/c1-8(7-18-3)14-10(16)6-15-11(17)4-9(12-2)5-13-15/h4-5,8,12H,6-7H2,1-3H3,(H,14,16)
InChIKeyCJGNBHYBSLVAAH-UHFFFAOYSA-N
XLogP-0.56
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide (CID 103218574) is N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide is CNc1cnn(CC(=O)NC(C)COC)c(=O)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is CJGNBHYBSLVAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(7-18-3)14-10(16)6-15-11(17)4-9(12-2)5-13-15/h4-5,8,12H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide?
N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-[4-(methylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103218574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).