N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine

C23H26ClN3 — CID 146198396

IUPACN-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)N(CCCCCl)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C23H26ClN3/c1-18(2)27(16-10-9-15-24)21-17-25-22(19-11-5-3-6-12-19)23(26-21)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3
InChIKeyNCUUIJGXJPAKBJ-UHFFFAOYSA-N
MW379.94 g/mol
LogP6.04
Rot. Bonds8

About N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine

N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine (PubChem CID 146198396) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine.

Molecular Properties

Compound NameN-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine
PubChem CID146198396
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC NameN-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine
SMILESCC(C)N(CCCCCl)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C23H26ClN3/c1-18(2)27(16-10-9-15-24)21-17-25-22(19-11-5-3-6-12-19)23(26-21)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3
InChIKeyNCUUIJGXJPAKBJ-UHFFFAOYSA-N
XLogP6.04
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine?
The IUPAC name of N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine (CID 146198396) is N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine.
What is the SMILES notation for N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine?
The canonical SMILES for N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine is CC(C)N(CCCCCl)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine?
The InChIKey is NCUUIJGXJPAKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c1-18(2)27(16-10-9-15-24)21-17-25-22(19-11-5-3-6-12-19)23(26-21)20-13-7-4-8-14-20/h3-8,11-14,17-18H,9-10,15-16H2,1-2H3.
What are the key properties of N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine?
N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine has a molecular weight of 379.94 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-5,6-diphenyl-N-propan-2-ylpyrazin-2-amine is sourced from PubChem (CID 146198396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).