5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine

C13H19N7S — CID 103059756

IUPAC5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2nnnn2C2CCCC2)cn1
InChIInChI=1S/C13H19N7S/c1-2-14-12-8-15-10(7-16-12)9-21-13-17-18-19-20(13)11-5-3-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,14,16)
InChIKeyFHMSJBDFTUOVFR-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.30
Rot. Bonds6

About 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine

5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine (PubChem CID 103059756) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine
PubChem CID103059756
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine
SMILESCCNc1cnc(CSc2nnnn2C2CCCC2)cn1
InChIInChI=1S/C13H19N7S/c1-2-14-12-8-15-10(7-16-12)9-21-13-17-18-19-20(13)11-5-3-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,14,16)
InChIKeyFHMSJBDFTUOVFR-UHFFFAOYSA-N
XLogP2.30
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The IUPAC name of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine (CID 103059756) is 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine.
What is the SMILES notation for 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The canonical SMILES for 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine is CCNc1cnc(CSc2nnnn2C2CCCC2)cn1.
What is the InChIKey of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
The InChIKey is FHMSJBDFTUOVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-2-14-12-8-15-10(7-16-12)9-21-13-17-18-19-20(13)11-5-3-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,14,16).
What are the key properties of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine?
5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine has a molecular weight of 305.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-N-ethylpyrazin-2-amine is sourced from PubChem (CID 103059756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).