2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine

C8H13N3O — CID 58397962

IUPAC2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1nc2n(n1)CCCO2
InChIInChI=1S/C8H13N3O/c1-6(2)7-9-8-11(10-7)4-3-5-12-8/h6H,3-5H2,1-2H3
InChIKeyBNDZUHDJMNEJTF-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.18
Rot. Bonds1

About 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine

2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine (PubChem CID 58397962) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
PubChem CID58397962
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
SMILESCC(C)c1nc2n(n1)CCCO2
InChIInChI=1S/C8H13N3O/c1-6(2)7-9-8-11(10-7)4-3-5-12-8/h6H,3-5H2,1-2H3
InChIKeyBNDZUHDJMNEJTF-UHFFFAOYSA-N
XLogP1.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.18
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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 58784021
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
2-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine
CID 144234994

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine (CID 58397962) is 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine is CC(C)c1nc2n(n1)CCCO2.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
The InChIKey is BNDZUHDJMNEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)7-9-8-11(10-7)4-3-5-12-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine?
2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine has a molecular weight of 167.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 58397962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).