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

C14H23N5O2 — CID 56802679

IUPAC[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1
InChIInChI=1S/C14H23N5O2/c1-11(20)10-18-6-8-19(9-7-18)14(21)12-4-5-13(16-15-12)17(2)3/h4-5,11,20H,6-10H2,1-3H3
InChIKeyULVHHPBGQVWTOI-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.32
Rot. Bonds4

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

[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 56802679) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID56802679
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1
InChIInChI=1S/C14H23N5O2/c1-11(20)10-18-6-8-19(9-7-18)14(21)12-4-5-13(16-15-12)17(2)3/h4-5,11,20H,6-10H2,1-3H3
InChIKeyULVHHPBGQVWTOI-UHFFFAOYSA-N
XLogP-0.32
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 56802679) is [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)c2ccc(N(C)C)nn2)CC1.
What is the InChIKey of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is ULVHHPBGQVWTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(20)10-18-6-8-19(9-7-18)14(21)12-4-5-13(16-15-12)17(2)3/h4-5,11,20H,6-10H2,1-3H3.
What are the key properties of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56802679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).