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

C19H19N7O — CID 42291091

IUPAC6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(CCc1ccccn1)c1nc2nonc2nc1NCc1ccccc1
InChIInChI=1S/C19H19N7O/c1-26(12-10-15-9-5-6-11-20-15)19-18(21-13-14-7-3-2-4-8-14)22-16-17(23-19)25-27-24-16/h2-9,11H,10,12-13H2,1H3,(H,21,22,24)
InChIKeyRCLQQRVZGZTKIA-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.70
Rot. Bonds7

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

6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42291091) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42291091
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(CCc1ccccn1)c1nc2nonc2nc1NCc1ccccc1
InChIInChI=1S/C19H19N7O/c1-26(12-10-15-9-5-6-11-20-15)19-18(21-13-14-7-3-2-4-8-14)22-16-17(23-19)25-27-24-16/h2-9,11H,10,12-13H2,1H3,(H,21,22,24)
InChIKeyRCLQQRVZGZTKIA-UHFFFAOYSA-N
XLogP2.70
TPSA92.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

4-N,6-N,2,5-tetramethyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80766493
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205
5-chloro-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80766045
N-methyl-5-phenyl-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazol-3-amine
CID 133481473
N,3-dimethyl-5-(methylaminomethyl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 80629000
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 63960883
4-N,5-dimethyl-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80750116
4-N-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 50983388
4-N,6-N-dimethyl-5-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80750839
5-chloro-2-hydrazinyl-N-methyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80932166

Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42291091) is 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CN(CCc1ccccn1)c1nc2nonc2nc1NCc1ccccc1.
What is the InChIKey of 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is RCLQQRVZGZTKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-26(12-10-15-9-5-6-11-20-15)19-18(21-13-14-7-3-2-4-8-14)22-16-17(23-19)25-27-24-16/h2-9,11H,10,12-13H2,1H3,(H,21,22,24).
What are the key properties of 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 361.41 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-5-N-methyl-5-N-(2-pyridin-2-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42291091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).