6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

C17H24N8O — CID 25366574

IUPAC6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN(CCc1cnn(C)c1)c1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C17H24N8O/c1-23(10-7-13-11-18-24(2)12-13)16-17(25-8-5-3-4-6-9-25)20-15-14(19-16)21-26-22-15/h11-12H,3-10H2,1-2H3
InChIKeyFCRWJGRDHDEUQN-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.81
Rot. Bonds5

About 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine

6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (PubChem CID 25366574) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
PubChem CID25366574
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
SMILESCN(CCc1cnn(C)c1)c1nc2nonc2nc1N1CCCCCC1
InChIInChI=1S/C17H24N8O/c1-23(10-7-13-11-18-24(2)12-13)16-17(25-8-5-3-4-6-9-25)20-15-14(19-16)21-26-22-15/h11-12H,3-10H2,1-2H3
InChIKeyFCRWJGRDHDEUQN-UHFFFAOYSA-N
XLogP1.81
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The IUPAC name of 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine (CID 25366574) is 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is CN(CCc1cnn(C)c1)c1nc2nonc2nc1N1CCCCCC1.
What is the InChIKey of 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
The InChIKey is FCRWJGRDHDEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O/c1-23(10-7-13-11-18-24(2)12-13)16-17(25-8-5-3-4-6-9-25)20-15-14(19-16)21-26-22-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine?
6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine has a molecular weight of 356.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 25366574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).