3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole

C5H5N5S — CID 131219603

IUPAC3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole
SMILESc1ncn(Cc2cnsn2)n1
InChIInChI=1S/C5H5N5S/c1-5(9-11-8-1)2-10-4-6-3-7-10/h1,3-4H,2H2
InChIKeySFBQPQJVFWLLFN-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.18
Rot. Bonds2

About 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole

3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole (PubChem CID 131219603) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole
PubChem CID131219603
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole
SMILESc1ncn(Cc2cnsn2)n1
InChIInChI=1S/C5H5N5S/c1-5(9-11-8-1)2-10-4-6-3-7-10/h1,3-4H,2H2
InChIKeySFBQPQJVFWLLFN-UHFFFAOYSA-N
XLogP0.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-Methylimidazol-4-yl)methyl]tetrazole
CID 19771037
1-[(3-Methylimidazol-4-yl)methyl]tetrazole
CID 19771042
4-(1,2,4-triazol-1-yl)-4-(2H-triazol-4-yl)triazole
CID 57185054
1-Ethyl-3-(2-methyltriazol-4-yl)-1,2,4-triazole
CID 70250351
1-Propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)triazole
CID 168909727
1-[4-(1,2,4-Triazol-1-ylmethyl)triazol-1-yl]ethanamine
CID 170026346
N-methyl-1-[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62447374
N-[[1-[2-(1,2,4-triazol-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 62447558
[1-[2-(1,2,4-Triazol-1-yl)ethyl]triazol-4-yl]methanamine
CID 62448120
1-[(3-Methylimidazol-4-yl)methyl]-1,2,4-triazole
CID 66142170
1-[(3-Propylimidazol-4-yl)methyl]-1,2,4-triazole
CID 66152850
1-[(3-Ethylimidazol-4-yl)methyl]-1,2,4-triazole
CID 66154162

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole?
The IUPAC name of 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole (CID 131219603) is 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole is c1ncn(Cc2cnsn2)n1.
What is the InChIKey of 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole?
The InChIKey is SFBQPQJVFWLLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c1-5(9-11-8-1)2-10-4-6-3-7-10/h1,3-4H,2H2.
What are the key properties of 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole?
3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole has a molecular weight of 167.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-ylmethyl)-1,2,5-thiadiazole is sourced from PubChem (CID 131219603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).