5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole

C11H10N6S — CID 672585

IUPAC5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole
SMILESCn1ccnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C11H10N6S/c1-16-8-7-12-10(16)18-11-13-14-15-17(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyHNDNDBGQEZZMNO-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.55
Rot. Bonds3

About 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole

5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole (PubChem CID 672585) has the molecular formula C11H10N6S and a molecular weight of 258.31 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole
PubChem CID672585
Molecular FormulaC11H10N6S
Molecular Weight258.31 g/mol
Exact Mass258.07
IUPAC Name5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole
SMILESCn1ccnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C11H10N6S/c1-16-8-7-12-10(16)18-11-13-14-15-17(11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyHNDNDBGQEZZMNO-UHFFFAOYSA-N
XLogP1.55
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole?
The IUPAC name of 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole (CID 672585) is 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole?
The canonical SMILES for 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole is Cn1ccnc1Sc1nnnn1-c1ccccc1.
What is the InChIKey of 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole?
The InChIKey is HNDNDBGQEZZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S/c1-16-8-7-12-10(16)18-11-13-14-15-17(11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole?
5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole has a molecular weight of 258.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)sulfanyl-1-phenyltetrazole is sourced from PubChem (CID 672585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).