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

C9H15N3O — CID 146338792

IUPAC7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESCC(C)(C)C1Cc2ncnn2CO1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-8-10-5-11-12(8)6-13-7/h5,7H,4,6H2,1-3H3
InChIKeyIWRBNKHIHUFBHU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.22
Rot. Bonds

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

7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (PubChem CID 146338792) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.

Molecular Properties

Compound Name7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
PubChem CID146338792
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
SMILESCC(C)(C)C1Cc2ncnn2CO1
InChIInChI=1S/C9H15N3O/c1-9(2,3)7-4-8-10-5-11-12(8)6-13-7/h5,7H,4,6H2,1-3H3
InChIKeyIWRBNKHIHUFBHU-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 146338759
5-tert-butyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
CID 146338787
8-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 146338789
7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 146339081
6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[4,3-b]oxazine
CID 146339088
8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
CID 148525260
8-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 153319543
6-tert-butyl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
CID 153319619
6-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 153319629
2-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine
CID 164828648
Hexane;7-methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 168893977
7-Methoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 168893978

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The IUPAC name of 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine (CID 146338792) is 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine.
What is the SMILES notation for 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The canonical SMILES for 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is CC(C)(C)C1Cc2ncnn2CO1.
What is the InChIKey of 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
The InChIKey is IWRBNKHIHUFBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)7-4-8-10-5-11-12(8)6-13-7/h5,7H,4,6H2,1-3H3.
What are the key properties of 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine?
7-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 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7,8-dihydro-5H-[1,2,4]triazolo[1,5-c][1,3]oxazine is sourced from PubChem (CID 146338792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).