N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine

C17H20N4O2 — CID 133347958

IUPACN-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine
SMILESCOc1cc(OC)c2cc(CCCNc3cnccn3)[nH]c2c1
InChIInChI=1S/C17H20N4O2/c1-22-13-9-15-14(16(10-13)23-2)8-12(21-15)4-3-5-19-17-11-18-6-7-20-17/h6-11,21H,3-5H2,1-2H3,(H,19,20)
InChIKeyTYNFFXOXFVZHED-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.02
Rot. Bonds7

About N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine

N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine (PubChem CID 133347958) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine
PubChem CID133347958
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine
SMILESCOc1cc(OC)c2cc(CCCNc3cnccn3)[nH]c2c1
InChIInChI=1S/C17H20N4O2/c1-22-13-9-15-14(16(10-13)23-2)8-12(21-15)4-3-5-19-17-11-18-6-7-20-17/h6-11,21H,3-5H2,1-2H3,(H,19,20)
InChIKeyTYNFFXOXFVZHED-UHFFFAOYSA-N
XLogP3.02
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine?
The IUPAC name of N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine (CID 133347958) is N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine.
What is the SMILES notation for N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine?
The canonical SMILES for N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine is COc1cc(OC)c2cc(CCCNc3cnccn3)[nH]c2c1.
What is the InChIKey of N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine?
The InChIKey is TYNFFXOXFVZHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-22-13-9-15-14(16(10-13)23-2)8-12(21-15)4-3-5-19-17-11-18-6-7-20-17/h6-11,21H,3-5H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine?
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine has a molecular weight of 312.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pyrazin-2-amine is sourced from PubChem (CID 133347958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).