1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one

C13H12N6OS — CID 133446978

IUPAC1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
SMILESCCn1ccnc(Sc2nnnn2-c2ccccc2)c1=O
InChIInChI=1S/C13H12N6OS/c1-2-18-9-8-14-11(12(18)20)21-13-15-16-17-19(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJRNUHVFNVHQCEQ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.39
Rot. Bonds4

About 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one

1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one (PubChem CID 133446978) has the molecular formula C13H12N6OS and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
PubChem CID133446978
Molecular FormulaC13H12N6OS
Molecular Weight300.35 g/mol
Exact Mass300.08
IUPAC Name1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
SMILESCCn1ccnc(Sc2nnnn2-c2ccccc2)c1=O
InChIInChI=1S/C13H12N6OS/c1-2-18-9-8-14-11(12(18)20)21-13-15-16-17-19(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJRNUHVFNVHQCEQ-UHFFFAOYSA-N
XLogP1.39
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
CID 62685186
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
4-chloro-2-phenyl-5-(1-phenyltetrazol-5-yl)sulfanylpyridazin-3-one
CID 9212270
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidine-4-carboxylic acid
CID 107555143
5-[(2-methylsulfonylimidazol-1-yl)methyl]-1-phenyltetrazole
CID 96568398
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 116798178
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
1-methyl-4-(1-phenyltetrazol-5-yl)sulfanylpyrazolo[5,4-d]pyrimidine
CID 2808974
3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 2460313
2-[1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]pyridine
CID 123935280
2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one?
The IUPAC name of 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one (CID 133446978) is 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one is CCn1ccnc(Sc2nnnn2-c2ccccc2)c1=O.
What is the InChIKey of 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one?
The InChIKey is JRNUHVFNVHQCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6OS/c1-2-18-9-8-14-11(12(18)20)21-13-15-16-17-19(13)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one?
1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one has a molecular weight of 300.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one is sourced from PubChem (CID 133446978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).