3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C9H12N6O4S — CID 57389185

IUPAC3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCn1nnc2c(S(=O)(=O)N3CCOCC3)ncn2c1=O
InChIInChI=1S/C9H12N6O4S/c1-13-9(16)15-6-10-8(7(15)11-12-13)20(17,18)14-2-4-19-5-3-14/h6H,2-5H2,1H3
InChIKeyYGVZMDYKAXUHDS-UHFFFAOYSA-N
MW300.30 g/mol
LogP-2.16
Rot. Bonds2

About 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 57389185) has the molecular formula C9H12N6O4S and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID57389185
Molecular FormulaC9H12N6O4S
Molecular Weight300.30 g/mol
Exact Mass300.06
IUPAC Name3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCn1nnc2c(S(=O)(=O)N3CCOCC3)ncn2c1=O
InChIInChI=1S/C9H12N6O4S/c1-13-9(16)15-6-10-8(7(15)11-12-13)20(17,18)14-2-4-19-5-3-14/h6H,2-5H2,1H3
InChIKeyYGVZMDYKAXUHDS-UHFFFAOYSA-N
XLogP-2.16
TPSA111.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 57389096
4-(3-methylimidazol-4-yl)sulfonylmorpholine
CID 11299206
2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135194
3-methyl-N-(2-methylpropyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 21080156
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine
CID 42283753
4-(2,4-dichloro-5-methylphenyl)sulfonylmorpholine
CID 775833
1-methyl-3-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)imidazol-2-one
CID 70529745
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
5-chloro-2,4-bis(morpholin-4-ylsulfonyl)aniline
CID 1161043
4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]morpholine
CID 48944322

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 57389185) is 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is Cn1nnc2c(S(=O)(=O)N3CCOCC3)ncn2c1=O.
What is the InChIKey of 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is YGVZMDYKAXUHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O4S/c1-13-9(16)15-6-10-8(7(15)11-12-13)20(17,18)14-2-4-19-5-3-14/h6H,2-5H2,1H3.
What are the key properties of 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 300.30 g/mol, XLogP of -2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 57389185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).