[4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine

C11H18N4O2 — CID 82663935

IUPAC[4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nnc3n2CCOC3)CCOCC1
InChIInChI=1S/C11H18N4O2/c12-8-11(1-4-16-5-2-11)10-14-13-9-7-17-6-3-15(9)10/h1-8,12H2
InChIKeyXCJKEPHQLPACIW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.18
Rot. Bonds2

About [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine

[4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine (PubChem CID 82663935) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine
PubChem CID82663935
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name[4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine
SMILESNCC1(c2nnc3n2CCOC3)CCOCC1
InChIInChI=1S/C11H18N4O2/c12-8-11(1-4-16-5-2-11)10-14-13-9-7-17-6-3-15(9)10/h1-8,12H2
InChIKeyXCJKEPHQLPACIW-UHFFFAOYSA-N
XLogP-0.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine (CID 82663935) is [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine is NCC1(c2nnc3n2CCOC3)CCOCC1.
What is the InChIKey of [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine?
The InChIKey is XCJKEPHQLPACIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-8-11(1-4-16-5-2-11)10-14-13-9-7-17-6-3-15(9)10/h1-8,12H2.
What are the key properties of [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine?
[4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine has a molecular weight of 238.29 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 82663935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).