6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine

C10H13N7S — CID 78990148

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H13N7S/c1-2-12-8-5-11-6-9(13-8)18-10-14-15-16-17(10)7-3-4-7/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyRRBFNFOCNPWZHP-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.38
Rot. Bonds5

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine (PubChem CID 78990148) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine
PubChem CID78990148
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine
SMILESCCNc1cncc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H13N7S/c1-2-12-8-5-11-6-9(13-8)18-10-14-15-16-17(10)7-3-4-7/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyRRBFNFOCNPWZHP-UHFFFAOYSA-N
XLogP1.38
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine (CID 78990148) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine is CCNc1cncc(Sc2nnnn2C2CC2)n1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine?
The InChIKey is RRBFNFOCNPWZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-2-12-8-5-11-6-9(13-8)18-10-14-15-16-17(10)7-3-4-7/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine has a molecular weight of 263.33 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethylpyrazin-2-amine is sourced from PubChem (CID 78990148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).