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

C8H13N3O — CID 170079612

IUPAC5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCC(C)C1OCCc2nncn21
InChIInChI=1S/C8H13N3O/c1-6(2)8-11-5-9-10-7(11)3-4-12-8/h5-6,8H,3-4H2,1-2H3
InChIKeyXTXYWDZKSLGYPW-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.01
Rot. Bonds1

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

5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (PubChem CID 170079612) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.

Molecular Properties

Compound Name5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
PubChem CID170079612
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCC(C)C1OCCc2nncn21
InChIInChI=1S/C8H13N3O/c1-6(2)8-11-5-9-10-7(11)3-4-12-8/h5-6,8H,3-4H2,1-2H3
InChIKeyXTXYWDZKSLGYPW-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-Methylpropyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-triazole
CID 103213671
3-[2-(2,2-Difluoroethoxy)ethyl]-4-(2-methylpropyl)-1,2,4-triazole
CID 103213672
(8S)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 57802971
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-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 58784021
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
8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 76614913
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

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The IUPAC name of 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (CID 170079612) is 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.
What is the SMILES notation for 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The canonical SMILES for 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is CC(C)C1OCCc2nncn21.
What is the InChIKey of 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The InChIKey is XTXYWDZKSLGYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)8-11-5-9-10-7(11)3-4-12-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine has a molecular weight of 167.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is sourced from PubChem (CID 170079612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).