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

C10H9N7O2S — CID 140740827

IUPAC1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2cncnc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H9N7O2S/c1-16-10(18)17(15-14-16)8-7(4-11-6-13-8)5-19-9-12-2-3-20-9/h2-4,6H,5H2,1H3/i2T
InChIKeyMBNOAUIUNXSTSQ-FUPOQFPWSA-N
MW293.30 g/mol
LogP-0.21
Rot. Bonds4

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

1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one (PubChem CID 140740827) has the molecular formula C10H9N7O2S and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one
PubChem CID140740827
Molecular FormulaC10H9N7O2S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one
SMILES[3H]c1csc(OCc2cncnc2-n2nnn(C)c2=O)n1
InChIInChI=1S/C10H9N7O2S/c1-16-10(18)17(15-14-16)8-7(4-11-6-13-8)5-19-9-12-2-3-20-9/h2-4,6H,5H2,1H3/i2T
InChIKeyMBNOAUIUNXSTSQ-FUPOQFPWSA-N
XLogP-0.21
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-methyl-4-[1-methyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-3-yl]tetrazol-5-one
CID 140740750
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2,4-triazin-6-yl]tetrazol-5-one
CID 140740553
1-methyl-4-[1-(trifluoromethyl)-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]triazol-4-yl]tetrazol-5-one
CID 140740359
1-[1-cyclopropyl-5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]triazol-4-yl]-4-methyltetrazol-5-one
CID 140740806
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1H-pyrazol-4-yl]tetrazol-5-one
CID 140740830
1-[5-bromo-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-3-yl]-4-methyltetrazol-5-one
CID 140740234
1-[3-iodo-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-5-yl]-4-methyltetrazol-5-one
CID 140740120
1-[4-bromo-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]furan-2-yl]-4-methyltetrazol-5-one
CID 140740054
1-[3-ethyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-oxazol-5-yl]-4-methyltetrazol-5-one
CID 140740717
1-[5-cyclopropyl-1-methyl-4-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-3-yl]-4-methyltetrazol-5-one
CID 140740147
1-[4-ethenyl-1-methyl-3-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrrol-2-yl]-4-methyltetrazol-5-one
CID 140740420
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiadiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,2-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]-1,3-thiazol-4-yl]tetrazol-5-one;1-methyl-4-[2-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]thiophen-3-yl]tetrazol-5-one
CID 160738393

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one?
The IUPAC name of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one (CID 140740827) is 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one.
What is the SMILES notation for 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one?
The canonical SMILES for 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one is [3H]c1csc(OCc2cncnc2-n2nnn(C)c2=O)n1.
What is the InChIKey of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one?
The InChIKey is MBNOAUIUNXSTSQ-FUPOQFPWSA-N. The full InChI is InChI=1S/C10H9N7O2S/c1-16-10(18)17(15-14-16)8-7(4-11-6-13-8)5-19-9-12-2-3-20-9/h2-4,6H,5H2,1H3/i2T.
What are the key properties of 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one?
1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one has a molecular weight of 293.30 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-[(4-tritio-1,3-thiazol-2-yl)oxymethyl]pyrimidin-4-yl]tetrazol-5-one is sourced from PubChem (CID 140740827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).