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

C20H18FN5O — CID 10067267

IUPAC4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)
InChIKeyVPJSDBCWKVHQQA-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.53
Rot. Bonds3

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

4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 10067267) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID10067267
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESO=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12
InChIInChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23)
InChIKeyVPJSDBCWKVHQQA-UHFFFAOYSA-N
XLogP3.53
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.53
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-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 10067267) is 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is O=c1n(-c2cccc(F)c2)nc2c(NC3CCCC3)nc3ccccc3n12.
What is the InChIKey of 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is VPJSDBCWKVHQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-13-6-5-9-15(12-13)26-20(27)25-17-11-4-3-10-16(17)23-18(19(25)24-26)22-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8H2,(H,22,23).
What are the key properties of 4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-(cyclopentylamino)-2-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 363.40 g/mol, XLogP of 3.53, 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-fluorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 10067267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).