(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine

C7H12N4O — CID 96850208

IUPAC(1S)-1-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)ethanamine
SMILESC[C@@H](C1=NN=C2N1CCOC2)N
InChIInChI=1S/C7H12N4O/c1-5(8)7-10-9-6-4-12-3-2-11(6)7/h5H,2-4,8H2,1H3/t5-/m0/s1
InChIKeyZLWFUFHHGBGKJF-YFKPBYRVSA-N
MW168.20 g/mol
LogP-1.90
Rot. Bonds1

About (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine

(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine (PubChem CID 96850208) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is (1S)-1-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine
PubChem CID96850208
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name(1S)-1-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)ethanamine
SMILESC[C@@H](C1=NN=C2N1CCOC2)N
InChIInChI=1S/C7H12N4O/c1-5(8)7-10-9-6-4-12-3-2-11(6)7/h5H,2-4,8H2,1H3/t5-/m0/s1
InChIKeyZLWFUFHHGBGKJF-YFKPBYRVSA-N
XLogP-1.90
TPSA66.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,8-dimethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CID 60728056
7-(2-ethoxyethyl)-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 71878548
3-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 57416366
2-(methoxymethyl)-5H,6H,7H,8H-(1,2,4)triazolo(1,5-a)pyridin-6-amine
CID 71755965
5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanamine
CID 75355410
(2S)-2-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}pyrrolidine dihydrochloride
CID 155973468
(2R)-2-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}pyrrolidine dihydrochloride
CID 155973738
2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 71756040
1-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butan-2-amine
CID 110210749
5-Methoxy-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136391
5-Methoxy-8-methyl-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 118136394
(3-(Trifluoromethyl)-5,6-dihydro-8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-6-yl)methanamine
CID 163294674

Frequently Asked Questions

What is the IUPAC name of (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine?
The IUPAC name of (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine (CID 96850208) is (1S)-1-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine?
The canonical SMILES for (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine is C[C@@H](C1=NN=C2N1CCOC2)N.
What is the InChIKey of (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine?
The InChIKey is ZLWFUFHHGBGKJF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(8)7-10-9-6-4-12-3-2-11(6)7/h5H,2-4,8H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine?
(1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine has a molecular weight of 168.20 g/mol, XLogP of -1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-{5H,6H,8H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}ethan-1-amine is sourced from PubChem (CID 96850208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).