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

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

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

Launch Full Analysis

Related Compounds

3-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]benzonitrile
CID 154754066
(2R)-N-cyclopropyl-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]propanamide
CID 94192936
[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149841
5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine
CID 43301839
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 56817067
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
3-[[1-(4-methylcyclohexyl)tetrazol-5-yl]methylsulfanyl]propanoic acid
CID 21295623
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 47153947
(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol
CID 99832858
5-(2-chlorophenyl)-2-[(1-cyclopropyltetrazol-5-yl)methylsulfanylmethyl]-1,3-oxazole
CID 71926181
N-[1-[5-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-pyridinyl]ethyl]propan-1-amine
CID 83109972
N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272

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).