2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one

C19H31N5O2 — CID 142603749

IUPAC2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(C)C)n1.Cc1ccc(=O)n(CCN(C)C)n1
InChIInChI=1S/C10H16N2O.C9H15N3O/c1-7(2)9-5-6-10(13)12(11-9)8(3)4;1-8-4-5-9(13)12(10-8)7-6-11(2)3/h5-8H,1-4H3;4-5H,6-7H2,1-3H3
InChIKeyRYPVBOYXKYKLGG-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.06
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one

2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one (PubChem CID 142603749) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one
PubChem CID142603749
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one
SMILESCC(C)c1ccc(=O)n(C(C)C)n1.Cc1ccc(=O)n(CCN(C)C)n1
InChIInChI=1S/C10H16N2O.C9H15N3O/c1-7(2)9-5-6-10(13)12(11-9)8(3)4;1-8-4-5-9(13)12(10-8)7-6-11(2)3/h5-8H,1-4H3;4-5H,6-7H2,1-3H3
InChIKeyRYPVBOYXKYKLGG-UHFFFAOYSA-N
XLogP2.06
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one (CID 142603749) is 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one is CC(C)c1ccc(=O)n(C(C)C)n1.Cc1ccc(=O)n(CCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one?
The InChIKey is RYPVBOYXKYKLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C9H15N3O/c1-7(2)9-5-6-10(13)12(11-9)8(3)4;1-8-4-5-9(13)12(10-8)7-6-11(2)3/h5-8H,1-4H3;4-5H,6-7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one?
2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one has a molecular weight of 361.49 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-methylpyridazin-3-one;2,6-di(propan-2-yl)pyridazin-3-one is sourced from PubChem (CID 142603749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).