5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole

C10H12N8S — CID 56881038

IUPAC5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole
SMILESCn1nnnc1SCCn1ccnc1-c1cnc[nH]1
InChIInChI=1S/C10H12N8S/c1-17-10(14-15-16-17)19-5-4-18-3-2-12-9(18)8-6-11-7-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,13)
InChIKeyRWJIBSHGAHJWKZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.59
Rot. Bonds5

About 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole

5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole (PubChem CID 56881038) has the molecular formula C10H12N8S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole
PubChem CID56881038
Molecular FormulaC10H12N8S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole
SMILESCn1nnnc1SCCn1ccnc1-c1cnc[nH]1
InChIInChI=1S/C10H12N8S/c1-17-10(14-15-16-17)19-5-4-18-3-2-12-9(18)8-6-11-7-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,13)
InChIKeyRWJIBSHGAHJWKZ-UHFFFAOYSA-N
XLogP0.59
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole?
The IUPAC name of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole (CID 56881038) is 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole.
What is the SMILES notation for 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole?
The canonical SMILES for 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole is Cn1nnnc1SCCn1ccnc1-c1cnc[nH]1.
What is the InChIKey of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole?
The InChIKey is RWJIBSHGAHJWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8S/c1-17-10(14-15-16-17)19-5-4-18-3-2-12-9(18)8-6-11-7-13-8/h2-3,6-7H,4-5H2,1H3,(H,11,13).
What are the key properties of 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole?
5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole has a molecular weight of 276.33 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(1H-imidazol-5-yl)imidazol-1-yl]ethylsulfanyl]-1-methyltetrazole is sourced from PubChem (CID 56881038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).