5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine

C9H9N5S — CID 91614710

IUPAC5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILES[3H]C1C(C)=Nc2nnnn2C1c1cccs1
InChIInChI=1S/C9H9N5S/c1-6-5-7(8-3-2-4-15-8)14-9(10-6)11-12-13-14/h2-4,7H,5H2,1H3/i5T
InChIKeyWWHICIBCJNPGHY-XHHURNKPSA-N
MW221.28 g/mol
LogP1.82
Rot. Bonds1

About 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine

5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine (PubChem CID 91614710) has the molecular formula C9H9N5S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine
PubChem CID91614710
Molecular FormulaC9H9N5S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine
SMILES[3H]C1C(C)=Nc2nnnn2C1c1cccs1
InChIInChI=1S/C9H9N5S/c1-6-5-7(8-3-2-4-15-8)14-9(10-6)11-12-13-14/h2-4,7H,5H2,1H3/i5T
InChIKeyWWHICIBCJNPGHY-XHHURNKPSA-N
XLogP1.82
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-7-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634953
7-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 136840344
7-(4-chlorophenyl)-5-thiophen-2-yl-6,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 75634678
2,5-dimethyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 163475702
3-(4-fluorophenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17067731
3-(4-methoxyphenyl)-2,5-dimethyl-7-thiophen-2-yl-6,7-dihydropyrazolo[1,5-a]pyrimidine
CID 17067724
7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 135476932
(7S)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 135763737
2-(4-methylphenyl)-7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136709447
7-[2-(difluoromethoxy)-3-methoxyphenyl]-5-thiophen-2-yl-4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidine
CID 135997635
methyl (7R)-6-(4-methylbenzoyl)-7-thiophen-2-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
CID 137121769
ethyl 7-thiophen-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 136933776

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine (CID 91614710) is 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine is [3H]C1C(C)=Nc2nnnn2C1c1cccs1.
What is the InChIKey of 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
The InChIKey is WWHICIBCJNPGHY-XHHURNKPSA-N. The full InChI is InChI=1S/C9H9N5S/c1-6-5-7(8-3-2-4-15-8)14-9(10-6)11-12-13-14/h2-4,7H,5H2,1H3/i5T.
What are the key properties of 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine?
5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine has a molecular weight of 221.28 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-thiophen-2-yl-6-tritio-6,7-dihydrotetrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 91614710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).