2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine

C9H15N3O — CID 164828648

IUPAC2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESCC(C)(C)c1nc2n(n1)COCC2
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-10-7-4-5-13-6-12(7)11-8/h4-6H2,1-3H3
InChIKeyDQDOEMKXYJCJBU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.11
Rot. Bonds

About 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine

2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (PubChem CID 164828648) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.

Molecular Properties

Compound Name2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
PubChem CID164828648
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESCC(C)(C)c1nc2n(n1)COCC2
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-10-7-4-5-13-6-12(7)11-8/h4-6H2,1-3H3
InChIKeyDQDOEMKXYJCJBU-UHFFFAOYSA-N
XLogP1.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
CID 58397962
3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 58783727
3-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 59539722
3-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 59825842
7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 68903331
2,8,8-Trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 89227226
3-ethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 89233292
2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
CID 89687623
3-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 117607496
3,5-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 130374296
2-(2-Methylbutan-2-yl)-5,8-dihydro-[1,2,4]triazolo[1,5-d][1,2,4]dioxazine
CID 132246520
ethane;2-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 144045972

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The IUPAC name of 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (CID 164828648) is 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.
What is the SMILES notation for 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The canonical SMILES for 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is CC(C)(C)c1nc2n(n1)COCC2.
What is the InChIKey of 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The InChIKey is DQDOEMKXYJCJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)8-10-7-4-5-13-6-12(7)11-8/h4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine has a molecular weight of 181.24 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is sourced from PubChem (CID 164828648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).