5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

C13H18N8O — CID 42153046

IUPAC5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1N(C)CCc1cnn(C)c1
InChIInChI=1S/C13H18N8O/c1-19(2)12-13(16-11-10(15-12)17-22-18-11)20(3)6-5-9-7-14-21(4)8-9/h7-8H,5-6H2,1-4H3
InChIKeyXWORTLGFCZMEPX-UHFFFAOYSA-N
MW302.34 g/mol
LogP0.49
Rot. Bonds5

About 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (PubChem CID 42153046) has the molecular formula C13H18N8O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.

Molecular Properties

Compound Name5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
PubChem CID42153046
Molecular FormulaC13H18N8O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
SMILESCN(C)c1nc2nonc2nc1N(C)CCc1cnn(C)c1
InChIInChI=1S/C13H18N8O/c1-19(2)12-13(16-11-10(15-12)17-22-18-11)20(3)6-5-9-7-14-21(4)8-9/h7-8H,5-6H2,1-4H3
InChIKeyXWORTLGFCZMEPX-UHFFFAOYSA-N
XLogP0.49
TPSA89.00 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine with MolForge

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Related Compounds

6-N-cyclopentyl-5-N-methyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 42123719
6-(azepan-1-yl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-amine
CID 42214302
4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]benzenecarbothioamide
CID 103002637
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
4-N-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125176371
N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 56898299
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80689704
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118769126
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365

Frequently Asked Questions

What is the IUPAC name of 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The IUPAC name of 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine (CID 42153046) is 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine.
What is the SMILES notation for 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The canonical SMILES for 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is CN(C)c1nc2nonc2nc1N(C)CCc1cnn(C)c1.
What is the InChIKey of 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
The InChIKey is XWORTLGFCZMEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N8O/c1-19(2)12-13(16-11-10(15-12)17-22-18-11)20(3)6-5-9-7-14-21(4)8-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine?
5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine has a molecular weight of 302.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,6-N,6-N-trimethyl-5-N-[2-(1-methylpyrazol-4-yl)ethyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine is sourced from PubChem (CID 42153046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).