1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

C12H10Cl2N4 — CID 13133618

IUPAC1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nc2ccccc2n2c(C(Cl)Cl)nnc12
InChIInChI=1S/C12H10Cl2N4/c1-2-7-11-16-17-12(10(13)14)18(11)9-6-4-3-5-8(9)15-7/h3-6,10H,2H2,1H3
InChIKeyOBMRJTNXHPOKEY-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.32
Rot. Bonds2

About 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline

1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 13133618) has the molecular formula C12H10Cl2N4 and a molecular weight of 281.15 g/mol. Its IUPAC name is 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID13133618
Molecular FormulaC12H10Cl2N4
Molecular Weight281.15 g/mol
Exact Mass280.03
IUPAC Name1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nc2ccccc2n2c(C(Cl)Cl)nnc12
InChIInChI=1S/C12H10Cl2N4/c1-2-7-11-16-17-12(10(13)14)18(11)9-6-4-3-5-8(9)15-7/h3-6,10H,2H2,1H3
InChIKeyOBMRJTNXHPOKEY-UHFFFAOYSA-N
XLogP3.32
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-amino-3-(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)propan-2-ol
CID 70081241
(2R,3R)-1-(4-benzyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)butane-1,2,3,4-tetrol
CID 139229651
4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
N-[(2R)-butan-2-yl]-2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 95071980
(2R,3S,4R)-1-(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)pentane-1,2,3,4,5-pentol
CID 139229655
(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methanamine
CID 82167293
4-propan-2-yloxy-1-propyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 100969706
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
1-ethyl-4-(4-phenylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20921368
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 13133618) is 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline is CCc1nc2ccccc2n2c(C(Cl)Cl)nnc12.
What is the InChIKey of 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is OBMRJTNXHPOKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4/c1-2-7-11-16-17-12(10(13)14)18(11)9-6-4-3-5-8(9)15-7/h3-6,10H,2H2,1H3.
What are the key properties of 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 281.15 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-4-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 13133618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).