N-propyl-5-(propylaminomethyl)pyrazin-2-amine

C11H20N4 — CID 107380778

IUPACN-propyl-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(NCCC)cn1
InChIInChI=1S/C11H20N4/c1-3-5-12-7-10-8-15-11(9-14-10)13-6-4-2/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyRRJMXEPBVHEBLT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.80
Rot. Bonds7

About N-propyl-5-(propylaminomethyl)pyrazin-2-amine

N-propyl-5-(propylaminomethyl)pyrazin-2-amine (PubChem CID 107380778) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-propyl-5-(propylaminomethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-propyl-5-(propylaminomethyl)pyrazin-2-amine
PubChem CID107380778
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-propyl-5-(propylaminomethyl)pyrazin-2-amine
SMILESCCCNCc1cnc(NCCC)cn1
InChIInChI=1S/C11H20N4/c1-3-5-12-7-10-8-15-11(9-14-10)13-6-4-2/h8-9,12H,3-7H2,1-2H3,(H,13,15)
InChIKeyRRJMXEPBVHEBLT-UHFFFAOYSA-N
XLogP1.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propyl-5-(propylaminomethyl)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

Related Compounds

N-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107381120
5-(3,3-dimethylbutoxymethyl)-N-propylpyrazin-2-amine
CID 103059228
5-(2-butoxyethoxymethyl)-N-propylpyrazin-2-amine
CID 103058513
5-[(3,5-difluorophenoxy)methyl]-N-propylpyrazin-2-amine
CID 103059023
CID 87288392
CID 87288392
N-[(5-pyrrolidin-1-ylpyrazin-2-yl)methyl]propan-1-amine
CID 107378814
5-[[ethyl(2-ethylbutyl)amino]methyl]-N-propylpyrazin-2-amine
CID 103055923
5-[(3,5-diethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057590
N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378913
3-[[5-(propylamino)pyrazin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103057419
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057201
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059738

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(propylaminomethyl)pyrazin-2-amine?
The IUPAC name of N-propyl-5-(propylaminomethyl)pyrazin-2-amine (CID 107380778) is N-propyl-5-(propylaminomethyl)pyrazin-2-amine.
What is the SMILES notation for N-propyl-5-(propylaminomethyl)pyrazin-2-amine?
The canonical SMILES for N-propyl-5-(propylaminomethyl)pyrazin-2-amine is CCCNCc1cnc(NCCC)cn1.
What is the InChIKey of N-propyl-5-(propylaminomethyl)pyrazin-2-amine?
The InChIKey is RRJMXEPBVHEBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-5-12-7-10-8-15-11(9-14-10)13-6-4-2/h8-9,12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of N-propyl-5-(propylaminomethyl)pyrazin-2-amine?
N-propyl-5-(propylaminomethyl)pyrazin-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(propylaminomethyl)pyrazin-2-amine is sourced from PubChem (CID 107380778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).