5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole

C5H7N7S — CID 130666192

IUPAC5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole
SMILESCn1ncnc1SCc1nn[nH]n1
InChIInChI=1S/C5H7N7S/c1-12-5(6-3-7-12)13-2-4-8-10-11-9-4/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyRCBPLHZETLPWTJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.38
Rot. Bonds3

About 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole

5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole (PubChem CID 130666192) has the molecular formula C5H7N7S and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole
PubChem CID130666192
Molecular FormulaC5H7N7S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole
SMILESCn1ncnc1SCc1nn[nH]n1
InChIInChI=1S/C5H7N7S/c1-12-5(6-3-7-12)13-2-4-8-10-11-9-4/h3H,2H2,1H3,(H,8,9,10,11)
InChIKeyRCBPLHZETLPWTJ-UHFFFAOYSA-N
XLogP-0.38
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-thiadiazole
CID 104602715
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiadiazol-5-amine
CID 104603985
5-(2,2-difluoroethylsulfanyl)-1-methyl-1,2,4-triazole
CID 131176601
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 104603999
5-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-2-amine
CID 104604017
3-[4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]prop-2-yn-1-ol
CID 104603671
4-chloro-5,6-dimethyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine
CID 104602712
5-(3-bromopropylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602646
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-ol
CID 104588098
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylic acid
CID 104602555
2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 104588089
5-(5-chloropentylsulfanyl)-1-methyl-1,2,4-triazole
CID 104602624

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole?
The IUPAC name of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole (CID 130666192) is 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole.
What is the SMILES notation for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole?
The canonical SMILES for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole is Cn1ncnc1SCc1nn[nH]n1.
What is the InChIKey of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole?
The InChIKey is RCBPLHZETLPWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7S/c1-12-5(6-3-7-12)13-2-4-8-10-11-9-4/h3H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole?
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole has a molecular weight of 197.23 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2H-tetrazole is sourced from PubChem (CID 130666192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).