3-[di(propan-2-yl)amino]-1H-pyridazin-6-one

C10H17N3O — CID 121205026

IUPAC3-[di(propan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(C)N(c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)13(8(3)4)9-5-6-10(14)12-11-9/h5-8H,1-4H3,(H,12,14)
InChIKeyDKZHPPFCQRBVCP-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.39
Rot. Bonds3

About 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one

3-[di(propan-2-yl)amino]-1H-pyridazin-6-one (PubChem CID 121205026) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[di(propan-2-yl)amino]-1H-pyridazin-6-one
PubChem CID121205026
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[di(propan-2-yl)amino]-1H-pyridazin-6-one
SMILESCC(C)N(c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)13(8(3)4)9-5-6-10(14)12-11-9/h5-8H,1-4H3,(H,12,14)
InChIKeyDKZHPPFCQRBVCP-UHFFFAOYSA-N
XLogP1.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Pyrrolidin-1-ylpyridazin-3-ol
CID 13103526
6-dimethylamino-2H-pyridazin-3-one
CID 12758394
6-(4-Methylpiperazin-1-yl)pyridazin-3-ol
CID 13103527
6-(Ethylamino)pyridazin-3(2H)-one
CID 13274962
6-(Propylamino)pyridazin-3(2H)-one
CID 13274963
6-(Butylamino)pyridazin-3(2H)-one
CID 13274966
6-Amino-2-isopropylpyridazin-3(2H)-one
CID 19739720
[amino-(cyanoamino)methylidene]-methyl-[2-[methyl-(6-oxo-1H-pyridazin-3-yl)amino]ethyl]azanium
CID 53883185
6-(Diethylamino)pyridazin-3(2H)-one
CID 70522275
6-(Isobutylamino)pyridazin-3-ol
CID 121205006
6-(Butyl(ethyl)amino)pyridazin-3-ol
CID 121205017
6-(Hexylamino)pyridazin-3-ol
CID 121205909

Frequently Asked Questions

What is the IUPAC name of 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one (CID 121205026) is 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one is CC(C)N(c1ccc(=O)[nH]n1)C(C)C.
What is the InChIKey of 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one?
The InChIKey is DKZHPPFCQRBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13(8(3)4)9-5-6-10(14)12-11-9/h5-8H,1-4H3,(H,12,14).
What are the key properties of 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one?
3-[di(propan-2-yl)amino]-1H-pyridazin-6-one has a molecular weight of 195.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[di(propan-2-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 121205026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).