2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine

C11H14N6S — CID 154736628

IUPAC2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine
SMILESCC(SCc1nnnn1C1CC1)c1cnccn1
InChIInChI=1S/C11H14N6S/c1-8(10-6-12-4-5-13-10)18-7-11-14-15-16-17(11)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3
InChIKeyQGXJWHSCNNTKMH-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.79
Rot. Bonds5

About 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine

2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine (PubChem CID 154736628) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine.

Molecular Properties

Compound Name2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine
PubChem CID154736628
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine
SMILESCC(SCc1nnnn1C1CC1)c1cnccn1
InChIInChI=1S/C11H14N6S/c1-8(10-6-12-4-5-13-10)18-7-11-14-15-16-17(11)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3
InChIKeyQGXJWHSCNNTKMH-UHFFFAOYSA-N
XLogP1.79
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine?
The IUPAC name of 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine (CID 154736628) is 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine.
What is the SMILES notation for 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine?
The canonical SMILES for 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine is CC(SCc1nnnn1C1CC1)c1cnccn1.
What is the InChIKey of 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine?
The InChIKey is QGXJWHSCNNTKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-8(10-6-12-4-5-13-10)18-7-11-14-15-16-17(11)9-2-3-9/h4-6,8-9H,2-3,7H2,1H3.
What are the key properties of 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine?
2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine has a molecular weight of 262.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine is sourced from PubChem (CID 154736628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).