[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone

C19H23N5O2 — CID 7292469

IUPAC[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(16-4-2-1-3-5-16)24-10-8-22(9-11-24)17-6-7-18(21-20-17)23-12-14-26-15-13-23/h1-7H,8-15H2
InChIKeyDUMXBMLAZPDUIW-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.28
Rot. Bonds3

About [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone

[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 7292469) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
PubChem CID7292469
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C19H23N5O2/c25-19(16-4-2-1-3-5-16)24-10-8-22(9-11-24)17-6-7-18(21-20-17)23-12-14-26-15-13-23/h1-7H,8-15H2
InChIKeyDUMXBMLAZPDUIW-UHFFFAOYSA-N
XLogP1.28
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone (CID 7292469) is [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is DUMXBMLAZPDUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-19(16-4-2-1-3-5-16)24-10-8-22(9-11-24)17-6-7-18(21-20-17)23-12-14-26-15-13-23/h1-7H,8-15H2.
What are the key properties of [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone?
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 353.43 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 7292469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).