3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

C10H9N3O2 — CID 3071991

IUPAC3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
SMILESO=C1CN2C(=NN1)COc1ccccc12
InChIInChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
InChIKeyPNPBXXNNLJGHBP-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.33
Rot. Bonds

About 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one (PubChem CID 3071991) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one.

Molecular Properties

Compound Name3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
PubChem CID3071991
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
SMILESO=C1CN2C(=NN1)COc1ccccc12
InChIInChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
InChIKeyPNPBXXNNLJGHBP-UHFFFAOYSA-N
XLogP0.33
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Paraxazone
CID 3047812
9-(azetidin-3-ylamino)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 76286333
N-butyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]acetamide
CID 16024629
9-(azetidin-3-ylamino)-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721560
9-(azetidin-3-ylamino)-1-ethyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721561
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxyethyl)acetamide
CID 5214843
N-[3-(Diethylamino)propyl]-2-{3-[4-(2-methoxyphenyl)piperazin-1-YL]-6-oxo-1,6-dihydropyridazin-1-YL}acetamide
CID 16024929
N-(2-Ethoxyphenyl)-2-[6-oxo-3-(4-phenylpiperazin-1-YL)-1,6-dihydropyridazin-1-YL]acetamide
CID 16024669
9-(azetidin-3-ylamino)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721284
9-(pyrrolidin-3-ylamino)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721546
9-(azepan-4-ylamino)-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
CID 118721549
N-(2-oxo-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-9-yl)piperidine-4-carboxamide
CID 118721557

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
The IUPAC name of 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one (CID 3071991) is 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one.
What is the SMILES notation for 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
The canonical SMILES for 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one is O=C1CN2C(=NN1)COc1ccccc12.
What is the InChIKey of 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
The InChIKey is PNPBXXNNLJGHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14).
What are the key properties of 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?
3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one has a molecular weight of 203.20 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one is sourced from PubChem (CID 3071991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).