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

C10H11N7O2S — CID 140740222

IUPAC1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2ncn(C)c2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H11N7O2S/c1-15-6-12-7(5-19-9-11-3-4-20-9)8(15)17-10(18)16(2)13-14-17/h3-4,6H,5H2,1-2H3/i3T
InChIKeyGBDKZXBOPBXOGJ-WJULDGBESA-N
MW295.32 g/mol
LogP-0.26
Rot. Bonds4

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

1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one (PubChem CID 140740222) has the molecular formula C10H11N7O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
PubChem CID140740222
Molecular FormulaC10H11N7O2S
Molecular Weight295.32 g/mol
Exact Mass295.08
IUPAC Name1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2ncn(C)c2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H11N7O2S/c1-15-6-12-7(5-19-9-11-3-4-20-9)8(15)17-10(18)16(2)13-14-17/h3-4,6H,5H2,1-2H3/i3T
InChIKeyGBDKZXBOPBXOGJ-WJULDGBESA-N
XLogP-0.26
TPSA92.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one (CID 140740222) is 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one is [3H]c1csc(OCc2ncn(C)c2-n2nnn(C)c2=O)n1.
What is the InChIKey of 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
The InChIKey is GBDKZXBOPBXOGJ-WJULDGBESA-N. The full InChI is InChI=1S/C10H11N7O2S/c1-15-6-12-7(5-19-9-11-3-4-20-9)8(15)17-10(18)16(2)13-14-17/h3-4,6H,5H2,1-2H3/i3T.
What are the key properties of 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one?
1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one has a molecular weight of 295.32 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-methyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]imidazol-4-yl]tetrazol-5-one is sourced from PubChem (CID 140740222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).