2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one

C10H13N3O — CID 126857366

IUPAC2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one
SMILESCC#CCn1nc(N(C)C)ccc1=O
InChIInChI=1S/C10H13N3O/c1-4-5-8-13-10(14)7-6-9(11-13)12(2)3/h6-7H,8H2,1-3H3
InChIKeyQZWQEGWCPGYNEM-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.33
Rot. Bonds2

About 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one

2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one (PubChem CID 126857366) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one
PubChem CID126857366
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one
SMILESCC#CCn1nc(N(C)C)ccc1=O
InChIInChI=1S/C10H13N3O/c1-4-5-8-13-10(14)7-6-9(11-13)12(2)3/h6-7H,8H2,1-3H3
InChIKeyQZWQEGWCPGYNEM-UHFFFAOYSA-N
XLogP0.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-Amino-2-ethylpyridazin-3(2H)-one
CID 19739706
6-Amino-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 116788154
N-Ethyl-N-(6-oxo-1,6-dihydropyridazin-3-yl)acetamide
CID 13274970
6-Amino-2-butylpyridazin-3-one
CID 82467417
6-Amino-2-but-3-ynylpyridazin-3-one
CID 116788174
6-Amino-2-pent-3-ynylpyridazin-3-one
CID 116788413
2-(But-2-yn-1-yl)-2,3-dihydropyridazin-3-one
CID 126857262
6-(Dimethylamino)-2-(prop-2-en-1-yl)-2,3-dihydropyridazin-3-one
CID 126857351
6-(Dimethylamino)-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 126857363
2-Cyclobutyl-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857367
2-Cyclopropyl-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857368
2-(Cyclopropylmethyl)-6-(dimethylamino)-2,3-dihydropyridazin-3-one
CID 126857371

Frequently Asked Questions

What is the IUPAC name of 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one (CID 126857366) is 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one is CC#CCn1nc(N(C)C)ccc1=O.
What is the InChIKey of 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one?
The InChIKey is QZWQEGWCPGYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-5-8-13-10(14)7-6-9(11-13)12(2)3/h6-7H,8H2,1-3H3.
What are the key properties of 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one?
2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one has a molecular weight of 191.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-ynyl-6-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 126857366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).