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

C21H21N5O — CID 10451086

IUPAC4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1
InChIInChI=1S/C21H21N5O/c1-14-7-6-10-16(13-14)26-21(27)25-18-12-5-4-11-17(18)23-19(20(25)24-26)22-15-8-2-3-9-15/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,23)
InChIKeyWITWYNVZVUALQW-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds3

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

4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10451086) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10451086
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESCc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1
InChIInChI=1S/C21H21N5O/c1-14-7-6-10-16(13-14)26-21(27)25-18-12-5-4-11-17(18)23-19(20(25)24-26)22-15-8-2-3-9-15/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,23)
InChIKeyWITWYNVZVUALQW-UHFFFAOYSA-N
XLogP3.70
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10451086) is 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is Cc1cccc(-n2nc3c(NC4CCCC4)nc4ccccc4n3c2=O)c1.
What is the InChIKey of 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is WITWYNVZVUALQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-7-6-10-16(13-14)26-21(27)25-18-12-5-4-11-17(18)23-19(20(25)24-26)22-15-8-2-3-9-15/h4-7,10-13,15H,2-3,8-9H2,1H3,(H,22,23).
What are the key properties of 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 359.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10451086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).