1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine

C12H16N4O2 — CID 118740709

IUPAC1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2Cn3nncc3CO2)o1
InChIInChI=1S/C12H16N4O2/c1-9-2-3-11(18-9)5-13-6-12-7-16-10(8-17-12)4-14-15-16/h2-4,12-13H,5-8H2,1H3
InChIKeyLLQGTDQYXPGPIB-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.87
Rot. Bonds4

About 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine

1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 118740709) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID118740709
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCC2Cn3nncc3CO2)o1
InChIInChI=1S/C12H16N4O2/c1-9-2-3-11(18-9)5-13-6-12-7-16-10(8-17-12)4-14-15-16/h2-4,12-13H,5-8H2,1H3
InChIKeyLLQGTDQYXPGPIB-UHFFFAOYSA-N
XLogP0.87
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 118740709) is 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CNCC2Cn3nncc3CO2)o1.
What is the InChIKey of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is LLQGTDQYXPGPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-2-3-11(18-9)5-13-6-12-7-16-10(8-17-12)4-14-15-16/h2-4,12-13H,5-8H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 248.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 118740709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).