8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C16H19ClN6 — CID 6624671

IUPAC8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN1CCCC1CNc1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C16H19ClN6/c1-2-22-7-3-4-12(22)9-18-15-16-21-19-10-23(16)14-8-11(17)5-6-13(14)20-15/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyLMYIWMWYMAJXMI-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.83
Rot. Bonds4

About 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 6624671) has the molecular formula C16H19ClN6 and a molecular weight of 330.82 g/mol. Its IUPAC name is 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID6624671
Molecular FormulaC16H19ClN6
Molecular Weight330.82 g/mol
Exact Mass330.14
IUPAC Name8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN1CCCC1CNc1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C16H19ClN6/c1-2-22-7-3-4-12(22)9-18-15-16-21-19-10-23(16)14-8-11(17)5-6-13(14)20-15/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,20)
InChIKeyLMYIWMWYMAJXMI-UHFFFAOYSA-N
XLogP2.83
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine with MolForge

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Related Compounds

6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
2-N-[(1-ethylpyrrolidin-2-yl)methyl]quinoline-2,6-diamine
CID 43450881
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 115761462
2-chloro-1-N-[(1-ethylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 43115512
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
2-chloro-6-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320516
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
N-[(4-chloro-2-methylphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine
CID 113461461
5,6-bis(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 143313007
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 6624671) is 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCN1CCCC1CNc1nc2ccc(Cl)cc2n2cnnc12.
What is the InChIKey of 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is LMYIWMWYMAJXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6/c1-2-22-7-3-4-12(22)9-18-15-16-21-19-10-23(16)14-8-11(17)5-6-13(14)20-15/h5-6,8,10,12H,2-4,7,9H2,1H3,(H,18,20).
What are the key properties of 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 330.82 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 6624671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).