2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone

C15H23N5O2 — CID 120799696

IUPAC2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
SMILESNC(C(=O)N1CCN(c2cccnn2)CC1)C1CCOCC1
InChIInChI=1S/C15H23N5O2/c16-14(12-3-10-22-11-4-12)15(21)20-8-6-19(7-9-20)13-2-1-5-17-18-13/h1-2,5,12,14H,3-4,6-11,16H2
InChIKeyONPYKLOLZJVCLA-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.12
Rot. Bonds3

About 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone

2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone (PubChem CID 120799696) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
PubChem CID120799696
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
SMILESNC(C(=O)N1CCN(c2cccnn2)CC1)C1CCOCC1
InChIInChI=1S/C15H23N5O2/c16-14(12-3-10-22-11-4-12)15(21)20-8-6-19(7-9-20)13-2-1-5-17-18-13/h1-2,5,12,14H,3-4,6-11,16H2
InChIKeyONPYKLOLZJVCLA-UHFFFAOYSA-N
XLogP-0.12
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796792
2-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120796728
2-amino-2-(oxan-4-yl)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 120801574
2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one
CID 126769163
2-amino-1-(1,3-dihydroisoindol-2-yl)-2-(oxan-4-yl)ethanone
CID 120792528
2-amino-2-(oxan-4-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 120796843
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 100843241
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120786234
2-amino-1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120801130
2-amino-1-[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120800589
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
2-amino-1-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-2-(oxan-4-yl)ethanone;dihydrochloride
CID 120801423

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone (CID 120799696) is 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone is NC(C(=O)N1CCN(c2cccnn2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is ONPYKLOLZJVCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-14(12-3-10-22-11-4-12)15(21)20-8-6-19(7-9-20)13-2-1-5-17-18-13/h1-2,5,12,14H,3-4,6-11,16H2.
What are the key properties of 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone?
2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 305.38 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 120799696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).