3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine

C13H22ClN3 — CID 79470519

IUPAC3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine
SMILESCCC(C)CN(CC)c1nc(C)c(C)nc1Cl
InChIInChI=1S/C13H22ClN3/c1-6-9(3)8-17(7-2)13-12(14)15-10(4)11(5)16-13/h9H,6-8H2,1-5H3
InChIKeyZNVOTZRRFXXFHQ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.62
Rot. Bonds5

About 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine

3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine (PubChem CID 79470519) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine
PubChem CID79470519
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine
SMILESCCC(C)CN(CC)c1nc(C)c(C)nc1Cl
InChIInChI=1S/C13H22ClN3/c1-6-9(3)8-17(7-2)13-12(14)15-10(4)11(5)16-13/h9H,6-8H2,1-5H3
InChIKeyZNVOTZRRFXXFHQ-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-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 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine (CID 79470519) is 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine is CCC(C)CN(CC)c1nc(C)c(C)nc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine?
The InChIKey is ZNVOTZRRFXXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-6-9(3)8-17(7-2)13-12(14)15-10(4)11(5)16-13/h9H,6-8H2,1-5H3.
What are the key properties of 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine?
3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-5,6-dimethyl-N-(2-methylbutyl)pyrazin-2-amine is sourced from PubChem (CID 79470519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).