2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C13H17N5O — CID 56741955

IUPAC2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCc1cnc(C)c(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C13H17N5O/c1-9-5-14-10(2)13(16-9)17-7-11-6-15-18(3-4-19)12(11)8-17/h5-6,19H,3-4,7-8H2,1-2H3
InChIKeySNQONLJNNAJSAV-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.80
Rot. Bonds3

About 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56741955) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56741955
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCc1cnc(C)c(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C13H17N5O/c1-9-5-14-10(2)13(16-9)17-7-11-6-15-18(3-4-19)12(11)8-17/h5-6,19H,3-4,7-8H2,1-2H3
InChIKeySNQONLJNNAJSAV-UHFFFAOYSA-N
XLogP0.80
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

2-[5-(6-methyl-2-propylpyrimidin-4-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56877826
2-[5-(2-methyl-5-propylpyrimidin-4-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56718851
2-[5-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56754901
2-[5-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56760028
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
CID 91833629
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylmethanamine
CID 118784169
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3-methoxy-N-methylpyrazin-2-amine
CID 132409884
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methoxy-N-methylpyrazin-2-amine
CID 132422529
2-[5-[5,6-dimethyl-2-(trifluoromethyl)pyrimidin-4-yl]-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56706430
2-[5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-5,6-dihydropyrrolo[3,4-c]pyrazol-1(4H)-yl]ethanol
CID 56742245
N,3,6-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazin-2-amine
CID 154752787
[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]imidazol-2-yl]methanol
CID 166381153

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56741955) is 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is Cc1cnc(C)c(N2Cc3cnn(CCO)c3C2)n1.
What is the InChIKey of 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is SNQONLJNNAJSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-5-14-10(2)13(16-9)17-7-11-6-15-18(3-4-19)12(11)8-17/h5-6,19H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 259.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,6-dimethylpyrazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56741955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).