8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C11H8N6OS — CID 155354535

IUPAC8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESC#CCn1nnc2c(-c3nc(C)cs3)ncn2c1=O
InChIInChI=1S/C11H8N6OS/c1-3-4-17-11(18)16-6-12-8(9(16)14-15-17)10-13-7(2)5-19-10/h1,5-6H,4H2,2H3
InChIKeyBOWNMHZDFJVOSP-UHFFFAOYSA-N
MW272.29 g/mol
LogP0.35
Rot. Bonds2

About 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 155354535) has the molecular formula C11H8N6OS and a molecular weight of 272.29 g/mol. Its IUPAC name is 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID155354535
Molecular FormulaC11H8N6OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESC#CCn1nnc2c(-c3nc(C)cs3)ncn2c1=O
InChIInChI=1S/C11H8N6OS/c1-3-4-17-11(18)16-6-12-8(9(16)14-15-17)10-13-7(2)5-19-10/h1,5-6H,4H2,2H3
InChIKeyBOWNMHZDFJVOSP-UHFFFAOYSA-N
XLogP0.35
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 155354535) is 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is C#CCn1nnc2c(-c3nc(C)cs3)ncn2c1=O.
What is the InChIKey of 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is BOWNMHZDFJVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N6OS/c1-3-4-17-11(18)16-6-12-8(9(16)14-15-17)10-13-7(2)5-19-10/h1,5-6H,4H2,2H3.
What are the key properties of 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 272.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-1,3-thiazol-2-yl)-3-prop-2-ynylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 155354535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).