8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C11H12N6O4S — CID 57389096

IUPAC8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESC#CCn1nnc2c(S(=O)(=O)N3CCOCC3)ncn2c1=O
InChIInChI=1S/C11H12N6O4S/c1-2-3-17-11(18)16-8-12-10(9(16)13-14-17)22(19,20)15-4-6-21-7-5-15/h1,8H,3-7H2
InChIKeyFQUWERSOKDVCDJ-UHFFFAOYSA-N
MW324.32 g/mol
LogP-2.06
Rot. Bonds3

About 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 57389096) has the molecular formula C11H12N6O4S and a molecular weight of 324.32 g/mol. Its IUPAC name is 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID57389096
Molecular FormulaC11H12N6O4S
Molecular Weight324.32 g/mol
Exact Mass324.06
IUPAC Name8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESC#CCn1nnc2c(S(=O)(=O)N3CCOCC3)ncn2c1=O
InChIInChI=1S/C11H12N6O4S/c1-2-3-17-11(18)16-8-12-10(9(16)13-14-17)22(19,20)15-4-6-21-7-5-15/h1,8H,3-7H2
InChIKeyFQUWERSOKDVCDJ-UHFFFAOYSA-N
XLogP-2.06
TPSA111.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 57389096) is 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is C#CCn1nnc2c(S(=O)(=O)N3CCOCC3)ncn2c1=O.
What is the InChIKey of 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is FQUWERSOKDVCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4S/c1-2-3-17-11(18)16-8-12-10(9(16)13-14-17)22(19,20)15-4-6-21-7-5-15/h1,8H,3-7H2.
What are the key properties of 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 324.32 g/mol, XLogP of -2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-ylsulfonyl-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 57389096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).