4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C20H19N5O — CID 10043187

IUPAC4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C20H19N5O/c26-20-24-17-13-7-6-12-16(17)22-18(21-14-8-4-5-9-14)19(24)23-25(20)15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
InChIKeyQFQPDPFKUGXQSB-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.39
Rot. Bonds3

About 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10043187) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10043187
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C20H19N5O/c26-20-24-17-13-7-6-12-16(17)22-18(21-14-8-4-5-9-14)19(24)23-25(20)15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22)
InChIKeyQFQPDPFKUGXQSB-UHFFFAOYSA-N
XLogP3.39
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10043187) is 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2ccccc2)nc2c(NC3CCCC3)nc3ccccc3n12.
What is the InChIKey of 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is QFQPDPFKUGXQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20-24-17-13-7-6-12-16(17)22-18(21-14-8-4-5-9-14)19(24)23-25(20)15-10-2-1-3-11-15/h1-3,6-7,10-14H,4-5,8-9H2,(H,21,22).
What are the key properties of 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 345.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10043187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).