N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine

C8H11N7S — CID 78990345

IUPACN-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nnnn2C)n1
InChIInChI=1S/C8H11N7S/c1-3-10-6-4-9-5-7(11-6)16-8-12-13-14-15(8)2/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyAHGSAIINFJNUSZ-UHFFFAOYSA-N
MW237.29 g/mol
LogP0.58
Rot. Bonds4

About N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine

N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine (PubChem CID 78990345) has the molecular formula C8H11N7S and a molecular weight of 237.29 g/mol. Its IUPAC name is N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine
PubChem CID78990345
Molecular FormulaC8H11N7S
Molecular Weight237.29 g/mol
Exact Mass237.08
IUPAC NameN-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nnnn2C)n1
InChIInChI=1S/C8H11N7S/c1-3-10-6-4-9-5-7(11-6)16-8-12-13-14-15(8)2/h4-5H,3H2,1-2H3,(H,10,11)
InChIKeyAHGSAIINFJNUSZ-UHFFFAOYSA-N
XLogP0.58
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine?
The IUPAC name of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine (CID 78990345) is N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine.
What is the SMILES notation for N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine?
The canonical SMILES for N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine is CCNc1cncc(Sc2nnnn2C)n1.
What is the InChIKey of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine?
The InChIKey is AHGSAIINFJNUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7S/c1-3-10-6-4-9-5-7(11-6)16-8-12-13-14-15(8)2/h4-5H,3H2,1-2H3,(H,10,11).
What are the key properties of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine?
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine has a molecular weight of 237.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine is sourced from PubChem (CID 78990345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).