6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde

C10H9N3O2S — CID 121204796

IUPAC6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde
SMILESO=Cc1nnn2c1COC(c1cccs1)C2
InChIInChI=1S/C10H9N3O2S/c14-5-7-8-6-15-9(4-13(8)12-11-7)10-2-1-3-16-10/h1-3,5,9H,4,6H2
InChIKeyDAFVRHVEMYDARP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.42
Rot. Bonds2

About 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde

6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde (PubChem CID 121204796) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde.

Molecular Properties

Compound Name6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde
PubChem CID121204796
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde
SMILESO=Cc1nnn2c1COC(c1cccs1)C2
InChIInChI=1S/C10H9N3O2S/c14-5-7-8-6-15-9(4-13(8)12-11-7)10-2-1-3-16-10/h1-3,5,9H,4,6H2
InChIKeyDAFVRHVEMYDARP-UHFFFAOYSA-N
XLogP1.42
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbaldehyde
CID 121204824
[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine
CID 129498365
1-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 171109817
2-thiophen-2-ylmorpholin-4-amine
CID 82280994
4-(1-phenyltetrazol-5-yl)-2-thiophen-2-ylmorpholine
CID 133363497
(6R)-6-(4-methylphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 99751734
1-[4-[6-(4-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 87053689
(6R)-6-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxylic acid
CID 129496707
2-(chloromethyl)-6-thiophen-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 121204837
6-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine
CID 91891573
(6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl)methanamine
CID 121204792
4-thiophen-2-ylpiperidine-1-carbaldehyde
CID 89385438

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
The IUPAC name of 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde (CID 121204796) is 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde.
What is the SMILES notation for 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
The canonical SMILES for 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde is O=Cc1nnn2c1COC(c1cccs1)C2.
What is the InChIKey of 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
The InChIKey is DAFVRHVEMYDARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-5-7-8-6-15-9(4-13(8)12-11-7)10-2-1-3-16-10/h1-3,5,9H,4,6H2.
What are the key properties of 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde has a molecular weight of 235.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbaldehyde is sourced from PubChem (CID 121204796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).