3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine

C13H13N5O — CID 103744317

IUPAC3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCc1ncno1
InChIInChI=1S/C13H13N5O/c1-9-13(14-7-6-12-15-8-16-19-12)18-11-5-3-2-4-10(11)17-9/h2-5,8H,6-7H2,1H3,(H,14,18)
InChIKeyYJJZYQQMENNRCQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.98
Rot. Bonds4

About 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine

3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine (PubChem CID 103744317) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
PubChem CID103744317
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCCc1ncno1
InChIInChI=1S/C13H13N5O/c1-9-13(14-7-6-12-15-8-16-19-12)18-11-5-3-2-4-10(11)17-9/h2-5,8H,6-7H2,1H3,(H,14,18)
InChIKeyYJJZYQQMENNRCQ-UHFFFAOYSA-N
XLogP1.98
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carbonitrile
CID 103744384
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinolin-2-amine
CID 103744283
2-hydrazinyl-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 106412476
N-(4-chlorobutyl)-3-methylquinoxalin-2-amine
CID 106845037
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-methylquinoxalin-2-amine
CID 133347501
5-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106412100
5,6-dimethyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-4-carbonitrile
CID 103744374
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
N',N'-dimethyl-N-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 18549044
4,6-dimethyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 103744395
4-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106409642

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine (CID 103744317) is 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1NCCc1ncno1.
What is the InChIKey of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine?
The InChIKey is YJJZYQQMENNRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-13(14-7-6-12-15-8-16-19-12)18-11-5-3-2-4-10(11)17-9/h2-5,8H,6-7H2,1H3,(H,14,18).
What are the key properties of 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine?
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine has a molecular weight of 255.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine is sourced from PubChem (CID 103744317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).