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

C12H16N6O3 — CID 56748765

IUPAC2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCOc1nc(OC)nc(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C12H16N6O3/c1-20-11-14-10(15-12(16-11)21-2)17-6-8-5-13-18(3-4-19)9(8)7-17/h5,19H,3-4,6-7H2,1-2H3
InChIKeyHSDNTTKDGXTZOL-UHFFFAOYSA-N
MW292.30 g/mol
LogP-0.40
Rot. Bonds5

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

2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56748765) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56748765
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCOc1nc(OC)nc(N2Cc3cnn(CCO)c3C2)n1
InChIInChI=1S/C12H16N6O3/c1-20-11-14-10(15-12(16-11)21-2)17-6-8-5-13-18(3-4-19)9(8)7-17/h5,19H,3-4,6-7H2,1-2H3
InChIKeyHSDNTTKDGXTZOL-UHFFFAOYSA-N
XLogP-0.40
TPSA98.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56748765) is 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is COc1nc(OC)nc(N2Cc3cnn(CCO)c3C2)n1.
What is the InChIKey of 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is HSDNTTKDGXTZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-20-11-14-10(15-12(16-11)21-2)17-6-8-5-13-18(3-4-19)9(8)7-17/h5,19H,3-4,6-7H2,1-2H3.
What are the key properties of 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 292.30 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56748765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).