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

C13H14N6O — CID 739859

IUPAC5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2N(C)C)cc1
InChIInChI=1S/C13H14N6O/c1-8-4-6-9(7-5-8)14-12-13(19(2)3)16-11-10(15-12)17-20-18-11/h4-7H,1-3H3,(H,14,15,17)
InChIKeySQQJBYHIKJOGDV-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.13
Rot. Bonds3

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

5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 739859) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID739859
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2N(C)C)cc1
InChIInChI=1S/C13H14N6O/c1-8-4-6-9(7-5-8)14-12-13(19(2)3)16-11-10(15-12)17-20-18-11/h4-7H,1-3H3,(H,14,15,17)
InChIKeySQQJBYHIKJOGDV-UHFFFAOYSA-N
XLogP2.13
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 739859) is 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2N(C)C)cc1.
What is the InChIKey of 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is SQQJBYHIKJOGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8-4-6-9(7-5-8)14-12-13(19(2)3)16-11-10(15-12)17-20-18-11/h4-7H,1-3H3,(H,14,15,17).
What are the key properties of 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 270.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-6-N-(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 739859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).