1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

C15H20N6O — CID 146314810

IUPAC1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
SMILESCOc1cccc2c1nc(C(N)CCCN)c1nnc(C)n12
InChIInChI=1S/C15H20N6O/c1-9-19-20-15-13(10(17)5-4-8-16)18-14-11(21(9)15)6-3-7-12(14)22-2/h3,6-7,10H,4-5,8,16-17H2,1-2H3
InChIKeyKCELEIUGICWEBU-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.33
Rot. Bonds5

About 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine

1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine (PubChem CID 146314810) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine.

Molecular Properties

Compound Name1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
PubChem CID146314810
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
SMILESCOc1cccc2c1nc(C(N)CCCN)c1nnc(C)n12
InChIInChI=1S/C15H20N6O/c1-9-19-20-15-13(10(17)5-4-8-16)18-14-11(21(9)15)6-3-7-12(14)22-2/h3,6-7,10H,4-5,8,16-17H2,1-2H3
InChIKeyKCELEIUGICWEBU-UHFFFAOYSA-N
XLogP1.33
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 135276051
1-[8-methoxy-1-methyl-7-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine
CID 146314919
1-[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]butane-1,4-diamine
CID 146314879
1-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine
CID 146314871
tert-butyl 6-[(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexanoate
CID 160504434
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
4-(2-methoxyphenoxy)pentan-1-amine
CID 62460101
8-methoxy-1,7-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 142406602
1-(3-methoxy-2-pyridinyl)pentan-1-amine
CID 55296724
(1S)-1-(2-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171225266
[4-amino-4-(4-methoxy-1-methylbenzimidazol-2-yl)butyl]-tert-butylcarbamic acid
CID 155229255
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
The IUPAC name of 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine (CID 146314810) is 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine.
What is the SMILES notation for 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
The canonical SMILES for 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine is COc1cccc2c1nc(C(N)CCCN)c1nnc(C)n12.
What is the InChIKey of 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
The InChIKey is KCELEIUGICWEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-19-20-15-13(10(17)5-4-8-16)18-14-11(21(9)15)6-3-7-12(14)22-2/h3,6-7,10H,4-5,8,16-17H2,1-2H3.
What are the key properties of 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine?
1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine has a molecular weight of 300.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)butane-1,4-diamine is sourced from PubChem (CID 146314810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).