[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine

C12H11N7S — CID 62685186

IUPAC[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
SMILESNCc1nccnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C12H11N7S/c13-8-10-11(15-7-6-14-10)20-12-16-17-18-19(12)9-4-2-1-3-5-9/h1-7H,8,13H2
InChIKeyAATVTZDXNVKDJS-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.06
Rot. Bonds4

About [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine

[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine (PubChem CID 62685186) has the molecular formula C12H11N7S and a molecular weight of 285.34 g/mol. Its IUPAC name is [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
PubChem CID62685186
Molecular FormulaC12H11N7S
Molecular Weight285.34 g/mol
Exact Mass285.08
IUPAC Name[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine
SMILESNCc1nccnc1Sc1nnnn1-c1ccccc1
InChIInChI=1S/C12H11N7S/c13-8-10-11(15-7-6-14-10)20-12-16-17-18-19(12)9-4-2-1-3-5-9/h1-7H,8,13H2
InChIKeyAATVTZDXNVKDJS-UHFFFAOYSA-N
XLogP1.06
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-one
CID 133446978
S-(1-phenyltetrazol-5-yl)thiohydroxylamine
CID 170760951
2-(1-phenyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 116798178
3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 2460313
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-en-1-amine
CID 77110853
3,3,3-trifluoro-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 43753027
4,4,4-trifluoro-3-(1-phenyltetrazol-5-yl)sulfanylbutan-1-amine
CID 43753427
[3-bromo-5-(1-phenyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 102818673
[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 63081126
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
5-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
CID 1253667
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592

Frequently Asked Questions

What is the IUPAC name of [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine?
The IUPAC name of [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine (CID 62685186) is [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine?
The canonical SMILES for [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine is NCc1nccnc1Sc1nnnn1-c1ccccc1.
What is the InChIKey of [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine?
The InChIKey is AATVTZDXNVKDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7S/c13-8-10-11(15-7-6-14-10)20-12-16-17-18-19(12)9-4-2-1-3-5-9/h1-7H,8,13H2.
What are the key properties of [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine?
[3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine has a molecular weight of 285.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-phenyltetrazol-5-yl)sulfanylpyrazin-2-yl]methanamine is sourced from PubChem (CID 62685186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).