6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine

C14H19N5O — CID 156846837

IUPAC6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESCC1CC(n2nc(N)c3ncc(C4CC4)nc32)CCO1
InChIInChI=1S/C14H19N5O/c1-8-6-10(4-5-20-8)19-14-12(13(15)18-19)16-7-11(17-14)9-2-3-9/h7-10H,2-6H2,1H3,(H2,15,18)
InChIKeyAFUUILGURSAXQF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.03
Rot. Bonds2

About 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine

6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 156846837) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID156846837
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine
SMILESCC1CC(n2nc(N)c3ncc(C4CC4)nc32)CCO1
InChIInChI=1S/C14H19N5O/c1-8-6-10(4-5-20-8)19-14-12(13(15)18-19)16-7-11(17-14)9-2-3-9/h7-10H,2-6H2,1H3,(H2,15,18)
InChIKeyAFUUILGURSAXQF-UHFFFAOYSA-N
XLogP2.03
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine (CID 156846837) is 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine is CC1CC(n2nc(N)c3ncc(C4CC4)nc32)CCO1.
What is the InChIKey of 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is AFUUILGURSAXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-6-10(4-5-20-8)19-14-12(13(15)18-19)16-7-11(17-14)9-2-3-9/h7-10H,2-6H2,1H3,(H2,15,18).
What are the key properties of 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine?
6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 273.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-(2-methyloxan-4-yl)pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 156846837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).