pyrrolo[3,4-d][1,3]oxazin-5-amine

C6H5N3O — CID 162789178

IUPACpyrrolo[3,4-d][1,3]oxazin-5-amine
SMILESNc1ncc2ncocc1-2
InChIInChI=1S/C6H5N3O/c7-6-4-2-10-3-9-5(4)1-8-6/h1-3H,(H2,7,8)
InChIKeyWVESGQWYNOCRMB-UHFFFAOYSA-N
MW135.13 g/mol
LogP0.76
Rot. Bonds

About pyrrolo[3,4-d][1,3]oxazin-5-amine

pyrrolo[3,4-d][1,3]oxazin-5-amine (PubChem CID 162789178) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is pyrrolo[3,4-d][1,3]oxazin-5-amine.

Molecular Properties

Compound Namepyrrolo[3,4-d][1,3]oxazin-5-amine
PubChem CID162789178
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Namepyrrolo[3,4-d][1,3]oxazin-5-amine
SMILESNc1ncc2ncocc1-2
InChIInChI=1S/C6H5N3O/c7-6-4-2-10-3-9-5(4)1-8-6/h1-3H,(H2,7,8)
InChIKeyWVESGQWYNOCRMB-UHFFFAOYSA-N
XLogP0.76
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-oxazol-4-yl)-1,2-oxazol-4-amine
CID 96636086
4-(2,4-dichlorophenyl)-1,3-oxazole
CID 76539815
2-(1,3-oxazol-4-yl)thieno[3,2-c]pyridin-4-amine
CID 119089210
6-(4-methylfuran-3-yl)pyridin-3-amine
CID 131014530
4-[[5-chloro-2-(5-methylpyrazin-2-yl)phenoxy]methyl]-1,3-oxazole
CID 178072963
[3-amino-6-(furan-3-yl)pyrazin-2-yl] acetate
CID 174686669
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
4-(1,3-oxazol-4-yl)benzene-1,2-diol
CID 115014795
3-[6-amino-5-(furan-3-yl)-3-pyridinyl]benzamide
CID 25106949
3-(1,3-oxazol-4-yl)pyridine-2-carboxylic acid
CID 67182983
2-N-(1,3-oxazol-4-ylmethyl)pyrazine-2,5-diamine
CID 130791804
4,9,14,19-tetraoxapentacyclo[15.3.0.02,6.07,11.012,16]icosa-1(20),2,5,7,10,12,15,17-octaene
CID 139042832

Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-d][1,3]oxazin-5-amine?
The IUPAC name of pyrrolo[3,4-d][1,3]oxazin-5-amine (CID 162789178) is pyrrolo[3,4-d][1,3]oxazin-5-amine.
What is the SMILES notation for pyrrolo[3,4-d][1,3]oxazin-5-amine?
The canonical SMILES for pyrrolo[3,4-d][1,3]oxazin-5-amine is Nc1ncc2ncocc1-2.
What is the InChIKey of pyrrolo[3,4-d][1,3]oxazin-5-amine?
The InChIKey is WVESGQWYNOCRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c7-6-4-2-10-3-9-5(4)1-8-6/h1-3H,(H2,7,8).
What are the key properties of pyrrolo[3,4-d][1,3]oxazin-5-amine?
pyrrolo[3,4-d][1,3]oxazin-5-amine has a molecular weight of 135.13 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-d][1,3]oxazin-5-amine is sourced from PubChem (CID 162789178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).