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

C9H15N3O — CID 146338759

IUPAC5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESCC(C)(C)C1OCCc2ncnn21
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-12-7(4-5-13-8)10-6-11-12/h6,8H,4-5H2,1-3H3
InChIKeyDHOKLRDGHPQYBN-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.40
Rot. Bonds

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

5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (PubChem CID 146338759) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.

Molecular Properties

Compound Name5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
PubChem CID146338759
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESCC(C)(C)C1OCCc2ncnn21
InChIInChI=1S/C9H15N3O/c1-9(2,3)8-12-7(4-5-13-8)10-6-11-12/h6,8H,4-5H2,1-3H3
InChIKeyDHOKLRDGHPQYBN-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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
5-Tert-butyl-1-(oxan-4-yl)-1,2,4-triazole
CID 59129104
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
ethane;2-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 144045972
2-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 144045973

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The IUPAC name of 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (CID 146338759) is 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.
What is the SMILES notation for 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The canonical SMILES for 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is CC(C)(C)C1OCCc2ncnn21.
What is the InChIKey of 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The InChIKey is DHOKLRDGHPQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)8-12-7(4-5-13-8)10-6-11-12/h6,8H,4-5H2,1-3H3.
What are the key properties of 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
5-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 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is sourced from PubChem (CID 146338759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).