3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C10H15N3O — CID 136551575

IUPAC3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESC1CCC(c2nnc3n2CCOC3)C1
InChIInChI=1S/C10H15N3O/c1-2-4-8(3-1)10-12-11-9-7-14-6-5-13(9)10/h8H,1-7H2
InChIKeyHXJBJPGFZDZPBV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.47
Rot. Bonds1

About 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 136551575) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID136551575
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESC1CCC(c2nnc3n2CCOC3)C1
InChIInChI=1S/C10H15N3O/c1-2-4-8(3-1)10-12-11-9-7-14-6-5-13(9)10/h8H,1-7H2
InChIKeyHXJBJPGFZDZPBV-UHFFFAOYSA-N
XLogP1.47
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 136551575) is 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is C1CCC(c2nnc3n2CCOC3)C1.
What is the InChIKey of 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is HXJBJPGFZDZPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-4-8(3-1)10-12-11-9-7-14-6-5-13(9)10/h8H,1-7H2.
What are the key properties of 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 193.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 136551575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).