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

C19H30N6O3 — CID 122336726

IUPAC[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1
InChIInChI=1S/C19H30N6O3/c26-13-12-22-4-6-23(7-5-22)17-1-2-18(21-20-17)24-8-10-25(11-9-24)19(27)16-3-14-28-15-16/h1-2,16,26H,3-15H2
InChIKeySGLCPUMRUKOURK-UHFFFAOYSA-N
MW390.49 g/mol
LogP-0.72
Rot. Bonds5

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

[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 122336726) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID122336726
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC Name[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESO=C(C1CCOC1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1
InChIInChI=1S/C19H30N6O3/c26-13-12-22-4-6-23(7-5-22)17-1-2-18(21-20-17)24-8-10-25(11-9-24)19(27)16-3-14-28-15-16/h1-2,16,26H,3-15H2
InChIKeySGLCPUMRUKOURK-UHFFFAOYSA-N
XLogP-0.72
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone (CID 122336726) is [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is O=C(C1CCOC1)N1CCN(c2ccc(N3CCN(CCO)CC3)nn2)CC1.
What is the InChIKey of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is SGLCPUMRUKOURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3/c26-13-12-22-4-6-23(7-5-22)17-1-2-18(21-20-17)24-8-10-25(11-9-24)19(27)16-3-14-28-15-16/h1-2,16,26H,3-15H2.
What are the key properties of [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone?
[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of -0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 122336726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).