3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine

C9H14N2O — CID 175775528

IUPAC3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine
SMILES[2H]C1=CNN(C2CCCCO2)C([2H])=C1[2H]
InChIInChI=1S/C9H14N2O/c1-4-8-12-9(5-1)11-7-3-2-6-10-11/h2-3,6-7,9-10H,1,4-5,8H2/i2D,3D,7D
InChIKeyCXMBEUJLVWBVKO-XJWKXDPXSA-N
MW169.24 g/mol
LogP1.36
Rot. Bonds1

About 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine

3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine (PubChem CID 175775528) has the molecular formula C9H14N2O and a molecular weight of 169.24 g/mol. Its IUPAC name is 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine.

Molecular Properties

Compound Name3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine
PubChem CID175775528
Molecular FormulaC9H14N2O
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine
SMILES[2H]C1=CNN(C2CCCCO2)C([2H])=C1[2H]
InChIInChI=1S/C9H14N2O/c1-4-8-12-9(5-1)11-7-3-2-6-10-11/h2-3,6-7,9-10H,1,4-5,8H2/i2D,3D,7D
InChIKeyCXMBEUJLVWBVKO-XJWKXDPXSA-N
XLogP1.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4,5-dichloro-2-(oxan-2-yl)-1H-pyridazine
CID 170170804
3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
CID 175855402
carbanide;cerium(4+);2-(oxan-2-yl)-3H-pyrazol-3-ide
CID 153351090
5-chloro-4-nitro-1-(oxan-2-yl)pyrazole
CID 90010622
CID 88950303
CID 88950303
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
4,5-dibromo-2-(oxan-2-yl)triazole
CID 172993131
1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 131697629
6-chloro-9-[(2R)-oxan-2-yl]-7,8-dihydropurine
CID 124639362
4-ethyl-2-(oxan-2-yl)-1H-pyrazol-5-one
CID 160975726
1-(oxan-2-yl)imidazol-4-amine
CID 170352254
4-chloro-1-(oxan-2-yl)imidazole
CID 175285787

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine?
The IUPAC name of 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine (CID 175775528) is 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine.
What is the SMILES notation for 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine?
The canonical SMILES for 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine is [2H]C1=CNN(C2CCCCO2)C([2H])=C1[2H].
What is the InChIKey of 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine?
The InChIKey is CXMBEUJLVWBVKO-XJWKXDPXSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-8-12-9(5-1)11-7-3-2-6-10-11/h2-3,6-7,9-10H,1,4-5,8H2/i2D,3D,7D.
What are the key properties of 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine?
3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine has a molecular weight of 169.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trideuterio-2-(oxan-2-yl)-1H-pyridazine is sourced from PubChem (CID 175775528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).