[3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine

C10H12N4O2 — CID 134069785

IUPAC[3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
SMILESNCC1Cn2nnc(-c3ccoc3)c2CO1
InChIInChI=1S/C10H12N4O2/c11-3-8-4-14-9(6-16-8)10(12-13-14)7-1-2-15-5-7/h1-2,5,8H,3-4,6,11H2
InChIKeyZLPNUQHOWFELEE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.40
Rot. Bonds2

About [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine

[3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 134069785) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound Name[3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID134069785
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name[3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
SMILESNCC1Cn2nnc(-c3ccoc3)c2CO1
InChIInChI=1S/C10H12N4O2/c11-3-8-4-14-9(6-16-8)10(12-13-14)7-1-2-15-5-7/h1-2,5,8H,3-4,6,11H2
InChIKeyZLPNUQHOWFELEE-UHFFFAOYSA-N
XLogP0.40
TPSA79.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]propane-1-sulfonamide
CID 131647206
1-[(6R)-3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 97383670
N-[(4-fluorophenyl)methyl]-1-(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
CID 131657023
2-methoxy-N-[(3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]acetamide
CID 118743015
1-[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 97383651
N-[(4-methoxyphenyl)methyl]-1-[(6R)-3-pyridin-4-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97383696
N-[(3-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methyl]oxolane-3-carboxamide
CID 134072332
N-[[3-(3-methylphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]pyridin-2-amine
CID 134073796
N-[[(6S)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methyl]cyclopropanesulfonamide
CID 97391347
N-(pyridin-3-ylmethyl)-1-(3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl)methanamine
CID 131652655
N-[(4-methoxyphenyl)methyl]-1-[(6R)-3-(1-methylpyrazol-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97383659
N-[(1-methylpyrazol-4-yl)methyl]-1-[(6S)-3-thiophen-3-yl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine
CID 97383673

Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine (CID 134069785) is [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine is NCC1Cn2nnc(-c3ccoc3)c2CO1.
What is the InChIKey of [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is ZLPNUQHOWFELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-3-8-4-14-9(6-16-8)10(12-13-14)7-1-2-15-5-7/h1-2,5,8H,3-4,6,11H2.
What are the key properties of [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine?
[3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 220.23 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-3-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 134069785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).