5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one

C10H17N3O2 — CID 103218573

IUPAC5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCNc1cnn(CCOC(C)C)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-8(2)15-5-4-13-10(14)6-9(11-3)7-12-13/h6-8,11H,4-5H2,1-3H3
InChIKeyFVCZGUQUUDXKEC-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds5

About 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one

5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one (PubChem CID 103218573) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
PubChem CID103218573
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one
SMILESCNc1cnn(CCOC(C)C)c(=O)c1
InChIInChI=1S/C10H17N3O2/c1-8(2)15-5-4-13-10(14)6-9(11-3)7-12-13/h6-8,11H,4-5H2,1-3H3
InChIKeyFVCZGUQUUDXKEC-UHFFFAOYSA-N
XLogP0.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
5-(Ethylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219592
5-(Propylamino)-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221290
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
5-[2-Aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223513
5-[2-(Methylamino)ethylamino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223724
5-(Methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 113789723
5-[2-Methoxyethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397569

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The IUPAC name of 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one (CID 103218573) is 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one is CNc1cnn(CCOC(C)C)c(=O)c1.
What is the InChIKey of 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
The InChIKey is FVCZGUQUUDXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)15-5-4-13-10(14)6-9(11-3)7-12-13/h6-8,11H,4-5H2,1-3H3.
What are the key properties of 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one?
5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one has a molecular weight of 211.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-2-(2-propan-2-yloxyethyl)pyridazin-3-one is sourced from PubChem (CID 103218573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).