8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline

C15H16ClN5O — CID 66686191

IUPAC8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCC(COc2nc3ccc(Cl)cc3n3cnnc23)C1
InChIInChI=1S/C15H16ClN5O/c1-20-5-4-10(7-20)8-22-15-14-19-17-9-21(14)13-6-11(16)2-3-12(13)18-15/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyAPIULCVPZHTHJZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.26
Rot. Bonds3

About 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline

8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 66686191) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID66686191
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCN1CCC(COc2nc3ccc(Cl)cc3n3cnnc23)C1
InChIInChI=1S/C15H16ClN5O/c1-20-5-4-10(7-20)8-22-15-14-19-17-9-21(14)13-6-11(16)2-3-12(13)18-15/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyAPIULCVPZHTHJZ-UHFFFAOYSA-N
XLogP2.26
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-chloro-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475453
6-chloro-2-(chloromethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 115471136
8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 6624671
8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431422
8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline
CID 53380276
N-(1-benzylpiperidin-4-yl)-8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20889066
1-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethane-1,2-diamine
CID 66687041
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431420
4-(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 66686017
8-chloro-N-[2-(4-chlorophenyl)ethyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 22431418
4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
CID 58475593
3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
CID 145385406

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline (CID 66686191) is 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline is CN1CCC(COc2nc3ccc(Cl)cc3n3cnnc23)C1.
What is the InChIKey of 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is APIULCVPZHTHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c1-20-5-4-10(7-20)8-22-15-14-19-17-9-21(14)13-6-11(16)2-3-12(13)18-15/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline?
8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 317.78 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[(1-methylpyrrolidin-3-yl)methoxy]-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 66686191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).