3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine

C11H16N4 — CID 114694552

IUPAC3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine
SMILESCc1nccnc1NCC1=CCNCC1
InChIInChI=1S/C11H16N4/c1-9-11(14-7-6-13-9)15-8-10-2-4-12-5-3-10/h2,6-7,12H,3-5,8H2,1H3,(H,14,15)
InChIKeyNJTUORVXOPUVGE-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.12
Rot. Bonds3

About 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine

3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine (PubChem CID 114694552) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine
PubChem CID114694552
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine
SMILESCc1nccnc1NCC1=CCNCC1
InChIInChI=1S/C11H16N4/c1-9-11(14-7-6-13-9)15-8-10-2-4-12-5-3-10/h2,6-7,12H,3-5,8H2,1H3,(H,14,15)
InChIKeyNJTUORVXOPUVGE-UHFFFAOYSA-N
XLogP1.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)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-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine (CID 114694552) is 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine is Cc1nccnc1NCC1=CCNCC1.
What is the InChIKey of 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine?
The InChIKey is NJTUORVXOPUVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-9-11(14-7-6-13-9)15-8-10-2-4-12-5-3-10/h2,6-7,12H,3-5,8H2,1H3,(H,14,15).
What are the key properties of 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine?
3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine has a molecular weight of 204.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 114694552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).