(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone

C12H17N3O — CID 113200325

IUPAC(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(C(=O)N2CCCC2)nn1
InChIInChI=1S/C12H17N3O/c1-9(2)10-5-6-11(14-13-10)12(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHPBLIPIIMZQXOG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.84
Rot. Bonds2

About (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone

(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 113200325) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID113200325
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)c1ccc(C(=O)N2CCCC2)nn1
InChIInChI=1S/C12H17N3O/c1-9(2)10-5-6-11(14-13-10)12(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyHPBLIPIIMZQXOG-UHFFFAOYSA-N
XLogP1.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200335
(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200329
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
[6-(butan-2-ylamino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109111348
azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
[6-(3-methylbutylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111959
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200377
ethane;6-propan-2-ylpyridine-2-carboxylic acid;(6-propan-2-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 178152440
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
azonan-1-yl-(2-methyl-6-propan-2-yl-3-pyridinyl)methanone
CID 154789120
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901

Frequently Asked Questions

What is the IUPAC name of (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone (CID 113200325) is (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone is CC(C)c1ccc(C(=O)N2CCCC2)nn1.
What is the InChIKey of (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is HPBLIPIIMZQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)10-5-6-11(14-13-10)12(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone?
(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 219.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 113200325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).