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

C5H5N5S — CID 57135663

IUPAC3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole
SMILESc1n[nH]c(Cc2ncsn2)n1
InChIInChI=1S/C5H5N5S/c1(4-6-2-8-9-4)5-7-3-11-10-5/h2-3H,1H2,(H,6,8,9)
InChIKeyHESJIDWEZKBGFP-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.25
Rot. Bonds2

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

3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole (PubChem CID 57135663) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole
PubChem CID57135663
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole
SMILESc1n[nH]c(Cc2ncsn2)n1
InChIInChI=1S/C5H5N5S/c1(4-6-2-8-9-4)5-7-3-11-10-5/h2-3H,1H2,(H,6,8,9)
InChIKeyHESJIDWEZKBGFP-UHFFFAOYSA-N
XLogP0.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-Di(4h-1,2,4-triazol-3-yl)-ethane
CID 54489630
2-(1H-1,2,4-triazol-3-yl)ethanethioamide
CID 131121035
2-(1H-1,2,4-triazol-5-ylmethyl)-1,3,4-thiadiazole
CID 91383250
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943965
Di(4H-1,2,4-triazol-3-yl)methane
CID 12581812
bis(1H-1,2,4-triazol-5-yl)methanethione
CID 53644680
3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 53965972
3-methyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 54258100
3-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,4-thiadiazole
CID 67417380
3-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,4-thiadiazole
CID 67417382
5-methyl-3-(1H-1,2,4-triazol-5-ylmethyl)-1H-1,2,4-triazole
CID 68303216
3-tert-butyl-5-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazole
CID 139497266

Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole (CID 57135663) is 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole is c1n[nH]c(Cc2ncsn2)n1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole?
The InChIKey is HESJIDWEZKBGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c1(4-6-2-8-9-4)5-7-3-11-10-5/h2-3H,1H2,(H,6,8,9).
What are the key properties of 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole?
3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole has a molecular weight of 167.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-ylmethyl)-1,2,4-thiadiazole is sourced from PubChem (CID 57135663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).