1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

C19H20N6 — CID 146314871

IUPAC1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
SMILESNCCCC(N)c1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C19H20N6/c20-12-6-9-14(21)17-19-24-23-18(13-7-2-1-3-8-13)25(19)16-11-5-4-10-15(16)22-17/h1-5,7-8,10-11,14H,6,9,12,20-21H2
InChIKeyQPDXADJBMSXOAC-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.68
Rot. Bonds5

About 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine (PubChem CID 146314871) has the molecular formula C19H20N6 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
PubChem CID146314871
Molecular FormulaC19H20N6
Molecular Weight332.41 g/mol
Exact Mass332.17
IUPAC Name1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
SMILESNCCCC(N)c1nc2ccccc2n2c(-c3ccccc3)nnc12
InChIInChI=1S/C19H20N6/c20-12-6-9-14(21)17-19-24-23-18(13-7-2-1-3-8-13)25(19)16-11-5-4-10-15(16)22-17/h1-5,7-8,10-11,14H,6,9,12,20-21H2
InChIKeyQPDXADJBMSXOAC-UHFFFAOYSA-N
XLogP2.68
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
The IUPAC name of 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine (CID 146314871) is 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine.
What is the SMILES notation for 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
The canonical SMILES for 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine is NCCCC(N)c1nc2ccccc2n2c(-c3ccccc3)nnc12.
What is the InChIKey of 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
The InChIKey is QPDXADJBMSXOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6/c20-12-6-9-14(21)17-19-24-23-18(13-7-2-1-3-8-13)25(19)16-11-5-4-10-15(16)22-17/h1-5,7-8,10-11,14H,6,9,12,20-21H2.
What are the key properties of 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine has a molecular weight of 332.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 146314871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).