5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C11H9ClN6O — CID 4250225

IUPAC5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCNc1nc2nonc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C11H9ClN6O/c1-13-8-9(14-7-4-2-3-6(12)5-7)16-11-10(15-8)17-19-18-11/h2-5H,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyHPJGDSYNEHCARK-UHFFFAOYSA-N
MW276.69 g/mol
LogP2.45
Rot. Bonds3

About 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 4250225) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID4250225
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCNc1nc2nonc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C11H9ClN6O/c1-13-8-9(14-7-4-2-3-6(12)5-7)16-11-10(15-8)17-19-18-11/h2-5H,1H3,(H,13,15,17)(H,14,16,18)
InChIKeyHPJGDSYNEHCARK-UHFFFAOYSA-N
XLogP2.45
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(3-chlorophenyl)-6-N-cyclopropyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155486
5-N-(3-chlorophenyl)-6-N-[3-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155527
5-N,6-N-bis(3,4-dichlorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3094576
N-(3-chlorophenyl)-5-(3-methylpiperidin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 2869129
6-N-[(3-chlorophenyl)methyl]-5-N-[3-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155512
4-N-(3-chlorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80761118
6-N-(3-bromophenyl)-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4913938
6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 56695679
5-N-(2-fluorophenyl)-6-N-(3-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482661
5-N,6-N-bis(3,4-dimethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11676208
5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11538041
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 4250225) is 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CNc1nc2nonc2nc1Nc1cccc(Cl)c1.
What is the InChIKey of 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is HPJGDSYNEHCARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c1-13-8-9(14-7-4-2-3-6(12)5-7)16-11-10(15-8)17-19-18-11/h2-5H,1H3,(H,13,15,17)(H,14,16,18).
What are the key properties of 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 276.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-chlorophenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 4250225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).