3-chloro-5-methyl-N-propylpyrazin-2-amine

C8H12ClN3 — CID 59059048

IUPAC3-chloro-5-methyl-N-propylpyrazin-2-amine
SMILESCCCNc1ncc(C)nc1Cl
InChIInChI=1S/C8H12ClN3/c1-3-4-10-8-7(9)12-6(2)5-11-8/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyATIUKCQBQZPVFX-UHFFFAOYSA-N
MW185.66 g/mol
LogP2.26
Rot. Bonds3

About 3-chloro-5-methyl-N-propylpyrazin-2-amine

3-chloro-5-methyl-N-propylpyrazin-2-amine (PubChem CID 59059048) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 3-chloro-5-methyl-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5-methyl-N-propylpyrazin-2-amine
PubChem CID59059048
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name3-chloro-5-methyl-N-propylpyrazin-2-amine
SMILESCCCNc1ncc(C)nc1Cl
InChIInChI=1S/C8H12ClN3/c1-3-4-10-8-7(9)12-6(2)5-11-8/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyATIUKCQBQZPVFX-UHFFFAOYSA-N
XLogP2.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-methyl-N-propylpyrazin-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-5-methyl-N-propylpyrazin-2-amine?
The IUPAC name of 3-chloro-5-methyl-N-propylpyrazin-2-amine (CID 59059048) is 3-chloro-5-methyl-N-propylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-5-methyl-N-propylpyrazin-2-amine?
The canonical SMILES for 3-chloro-5-methyl-N-propylpyrazin-2-amine is CCCNc1ncc(C)nc1Cl.
What is the InChIKey of 3-chloro-5-methyl-N-propylpyrazin-2-amine?
The InChIKey is ATIUKCQBQZPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-3-4-10-8-7(9)12-6(2)5-11-8/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3-chloro-5-methyl-N-propylpyrazin-2-amine?
3-chloro-5-methyl-N-propylpyrazin-2-amine has a molecular weight of 185.66 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-N-propylpyrazin-2-amine is sourced from PubChem (CID 59059048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).