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

C16H14N6O2 — CID 56695679

IUPAC6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1cccc(Nc2nc3nonc3nc2NCc2ccco2)c1
InChIInChI=1S/C16H14N6O2/c1-10-4-2-5-11(8-10)18-14-13(17-9-12-6-3-7-23-12)19-15-16(20-14)22-24-21-15/h2-8H,9H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyKWVMBXRPGPTLFH-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.27
Rot. Bonds5

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

6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 56695679) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID56695679
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCc1cccc(Nc2nc3nonc3nc2NCc2ccco2)c1
InChIInChI=1S/C16H14N6O2/c1-10-4-2-5-11(8-10)18-14-13(17-9-12-6-3-7-23-12)19-15-16(20-14)22-24-21-15/h2-8H,9H2,1H3,(H,17,19,21)(H,18,20,22)
InChIKeyKWVMBXRPGPTLFH-UHFFFAOYSA-N
XLogP3.27
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-(3-chloro-4-methylphenyl)-6-N-(furan-2-ylmethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 1124708
6-N-(furan-2-ylmethyl)-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112858616
6-N-benzyl-5-N-(3-bromophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 564126
6-N-(3-bromophenyl)-5-N-(3,4-dimethylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 4913938
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109326828
6-N-(furan-2-ylmethyl)-4-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 19146084
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109117580
2-chloro-N-(furan-2-ylmethyl)-8-methyl-7H-purin-6-amine
CID 134481083
1-[3-[[5-amino-6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547437
N-(furan-2-ylmethyl)-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109346360
4-N-(furan-2-ylmethyl)-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112858549
4-N-(3,4-dimethylphenyl)-6-N-(furan-2-ylmethyl)-5-nitropyrimidine-4,6-diamine
CID 23484847

Frequently Asked Questions

What is the IUPAC name of 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 56695679) is 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is Cc1cccc(Nc2nc3nonc3nc2NCc2ccco2)c1.
What is the InChIKey of 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is KWVMBXRPGPTLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-10-4-2-5-11(8-10)18-14-13(17-9-12-6-3-7-23-12)19-15-16(20-14)22-24-21-15/h2-8H,9H2,1H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 322.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(furan-2-ylmethyl)-5-N-(3-methylphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 56695679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).