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

C18H16N6O — CID 804034

IUPAC5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N6O/c1-11-3-7-13(8-4-11)19-15-16(20-14-9-5-12(2)6-10-14)22-18-17(21-15)23-25-24-18/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyUHUVVVQQHDKWFL-UHFFFAOYSA-N
MW332.37 g/mol
LogP4.12
Rot. Bonds4

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

5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 804034) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID804034
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H16N6O/c1-11-3-7-13(8-4-11)19-15-16(20-14-9-5-12(2)6-10-14)22-18-17(21-15)23-25-24-18/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyUHUVVVQQHDKWFL-UHFFFAOYSA-N
XLogP4.12
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

CID 565708
CID 565708
CID 945568
CID 945568
CID 568592
CID 568592
CID 597054
CID 597054
CID 698543
CID 698543
CID 1115152
CID 1115152
CID 15991274
CID 15991274
CID 785747
CID 785747
CID 1203031
CID 1203031
CID 4653667
CID 4653667
CID 142482629
CID 142482629
CID 142482634
CID 142482634

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 804034) is 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(C)cc2)cc1.
What is the InChIKey of 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is UHUVVVQQHDKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-3-7-13(8-4-11)19-15-16(20-14-9-5-12(2)6-10-14)22-18-17(21-15)23-25-24-18/h3-10H,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 332.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N-bis(4-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 804034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).