1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one

C12H15N7O2S — CID 140740399

About 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one

1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one (PubChem CID 140740399) has the molecular formula C12H15N7O2S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one.

Molecular Properties

• Compound Name: 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
• PubChem CID: 140740399
• Molecular Formula: C12H15N7O2S
• Molecular Weight: 323.37 g/mol
• Exact Mass: 323.11
• IUPAC Name: 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
• SMILES: [3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(C)C)n1
• InChI: InChI=1S/C12H15N7O2S/c1-8(2)18-7-14-10(19-12(20)17(3)15-16-19)9(18)6-21-11-13-4-5-22-11/h4-5,7-8H,6H2,1-3H3/i4T
• InChIKey: TVYVYCVDRFWEJW-IBTRZKOZSA-N
• XLogP: 0.78
• TPSA: 92.65 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.37
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?

The IUPAC name of 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one (CID 140740399) is 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one.

What is the SMILES notation for 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?

The canonical SMILES for 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one is [3H]c1csc(OCc2c(-n3nnn(C)c3=O)ncn2C(C)C)n1.

What is the InChIKey of 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?

The InChIKey is TVYVYCVDRFWEJW-IBTRZKOZSA-N. The full InChI is InChI=1S/C12H15N7O2S/c1-8(2)18-7-14-10(19-12(20)17(3)15-16-19)9(18)6-21-11-13-4-5-22-11/h4-5,7-8H,6H2,1-3H3/i4T.

What are the key properties of 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?

1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one has a molecular weight of 323.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-[1-propan-2-yl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one is sourced from PubChem (CID 140740399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).