[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C16H22N4O2 — CID 122279219

IUPAC[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C16H22N4O2/c21-16(14-2-1-11-22-14)20-9-7-19(8-10-20)15-6-5-13(17-18-15)12-3-4-12/h5-6,12,14H,1-4,7-11H2
InChIKeyQTYHJLPEWWRVEC-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.18
Rot. Bonds3

About [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 122279219) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID122279219
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2ccc(C3CC3)nn2)CC1
InChIInChI=1S/C16H22N4O2/c21-16(14-2-1-11-22-14)20-9-7-19(8-10-20)15-6-5-13(17-18-15)12-3-4-12/h5-6,12,14H,1-4,7-11H2
InChIKeyQTYHJLPEWWRVEC-UHFFFAOYSA-N
XLogP1.18
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7178110
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
CID 122279226
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyloxolane-2-carboxamide
CID 126917260
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 95242996
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95243006
[6-[4-(oxolane-2-carbonyl)piperazin-1-yl]pyridazin-3-yl] N-(2-cyclopropylethyl)carbamate
CID 67420410

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 122279219) is [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2ccc(C3CC3)nn2)CC1.
What is the InChIKey of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is QTYHJLPEWWRVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(14-2-1-11-22-14)20-9-7-19(8-10-20)15-6-5-13(17-18-15)12-3-4-12/h5-6,12,14H,1-4,7-11H2.
What are the key properties of [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 122279219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).