[6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone

C16H27N5O3 — CID 56803211

IUPAC[6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1
InChIInChI=1S/C16H27N5O3/c1-4-24-12-13(22)11-20-7-9-21(10-8-20)16(23)14-5-6-15(18-17-14)19(2)3/h5-6,13,22H,4,7-12H2,1-3H3
InChIKeyMXNNIDGVUBBRHJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.30
Rot. Bonds7

About [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone

[6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56803211) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56803211
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name[6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCCOCC(O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1
InChIInChI=1S/C16H27N5O3/c1-4-24-12-13(22)11-20-7-9-21(10-8-20)16(23)14-5-6-15(18-17-14)19(2)3/h5-6,13,22H,4,7-12H2,1-3H3
InChIKeyMXNNIDGVUBBRHJ-UHFFFAOYSA-N
XLogP-0.30
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone (CID 56803211) is [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone is CCOCC(O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1.
What is the InChIKey of [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is MXNNIDGVUBBRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-4-24-12-13(22)11-20-7-9-21(10-8-20)16(23)14-5-6-15(18-17-14)19(2)3/h5-6,13,22H,4,7-12H2,1-3H3.
What are the key properties of [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone?
[6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridazin-3-yl]-[4-(3-ethoxy-2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56803211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).