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

C9H15N3O — CID 148525260

IUPAC8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCC(C)(C)C1COCn2cnnc21
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-13-6-12-5-10-11-8(7)12/h5,7H,4,6H2,1-3H3
InChIKeyMPFAAIDBOTXCTG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.40
Rot. Bonds

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

8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (PubChem CID 148525260) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.

Molecular Properties

Compound Name8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
PubChem CID148525260
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCC(C)(C)C1COCn2cnnc21
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-13-6-12-5-10-11-8(7)12/h5,7H,4,6H2,1-3H3
InChIKeyMPFAAIDBOTXCTG-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

3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 58783727
3-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 59825842
5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 146338759
7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 146338792
8-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
CID 146338793
7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
CID 146339068
7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 146339081
6-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]oxazine
CID 146339087
8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 153319543
7-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
CID 153319551
8-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
CID 153319585
5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 153319605

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The IUPAC name of 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (CID 148525260) is 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.
What is the SMILES notation for 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The canonical SMILES for 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is CC(C)(C)C1COCn2cnnc21.
What is the InChIKey of 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The InChIKey is MPFAAIDBOTXCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-13-6-12-5-10-11-8(7)12/h5,7H,4,6H2,1-3H3.
What are the key properties of 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-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 8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is sourced from PubChem (CID 148525260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).