6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine

C13H18N6 — CID 156846830

IUPAC6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESCN1CCC(n2nc(N)c3ncc(C4CC4)nc32)C1
InChIInChI=1S/C13H18N6/c1-18-5-4-9(7-18)19-13-11(12(14)17-19)15-6-10(16-13)8-2-3-8/h6,8-9H,2-5,7H2,1H3,(H2,14,17)
InChIKeyDVBONBMXAWDPTL-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.16
Rot. Bonds2

About 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine

6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 156846830) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID156846830
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESCN1CCC(n2nc(N)c3ncc(C4CC4)nc32)C1
InChIInChI=1S/C13H18N6/c1-18-5-4-9(7-18)19-13-11(12(14)17-19)15-6-10(16-13)8-2-3-8/h6,8-9H,2-5,7H2,1H3,(H2,14,17)
InChIKeyDVBONBMXAWDPTL-UHFFFAOYSA-N
XLogP1.16
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-3-[2-(1-methylpyrazol-4-yl)ethyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70686818
5-Cyclopropyl-3-[(1-propan-2-ylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70695149
US10280184, Example E.1.5
CID 118466927
US10280184, Example E.1.10
CID 118456717
US10280184, Example D.1.1
CID 118466918
US10280184, Example D.1.2
CID 118466925
US10280184, Example E.1.8
CID 118466948
US10280184, Example I.1.2
CID 118466995
US10280184, Example E.1.3
CID 118467059
US10280184, Example E.1.2
CID 118467060
US10280184, Example E.1.1
CID 118467063
5-isopropyl-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56907612

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine (CID 156846830) is 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine is CN1CCC(n2nc(N)c3ncc(C4CC4)nc32)C1.
What is the InChIKey of 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is DVBONBMXAWDPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-18-5-4-9(7-18)19-13-11(12(14)17-19)15-6-10(16-13)8-2-3-8/h6,8-9H,2-5,7H2,1H3,(H2,14,17).
What are the key properties of 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine?
6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 258.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 156846830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).