5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

C5H6N6OS — CID 130620136

IUPAC5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCn1nnnc1SCc1ncno1
InChIInChI=1S/C5H6N6OS/c1-11-5(8-9-10-11)13-2-4-6-3-7-12-4/h3H,2H2,1H3
InChIKeyCYVPLGLOFVSUHT-UHFFFAOYSA-N
MW198.21 g/mol
LogP-0.11
Rot. Bonds3

About 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole

5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 130620136) has the molecular formula C5H6N6OS and a molecular weight of 198.21 g/mol. Its IUPAC name is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID130620136
Molecular FormulaC5H6N6OS
Molecular Weight198.21 g/mol
Exact Mass198.03
IUPAC Name5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCn1nnnc1SCc1ncno1
InChIInChI=1S/C5H6N6OS/c1-11-5(8-9-10-11)13-2-4-6-3-7-12-4/h3H,2H2,1H3
InChIKeyCYVPLGLOFVSUHT-UHFFFAOYSA-N
XLogP-0.11
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
2-benzyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656584
3-(4-chlorophenyl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 8515136
trifluoro-[(1-methyltetrazol-5-yl)sulfanylmethyl]boranuide
CID 63702874
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 79774889
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973726
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882476
[5-(1,2,4-oxadiazol-5-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630195
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3H-1,3,4-thiadiazole-2-thione
CID 173411587
2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 79037574
2-[2-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenyl]acetic acid
CID 115460822
2-(1,2,4-oxadiazol-5-ylmethylsulfanyl)propan-1-amine
CID 66217863

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 130620136) is 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is Cn1nnnc1SCc1ncno1.
What is the InChIKey of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is CYVPLGLOFVSUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6OS/c1-11-5(8-9-10-11)13-2-4-6-3-7-12-4/h3H,2H2,1H3.
What are the key properties of 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole?
5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 198.21 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 130620136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).