1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine

C12H17N5O — CID 175872463

IUPAC1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESNc1cnc2cnn(CC[C@@H]3CCCOC3)c2n1
InChIInChI=1S/C12H17N5O/c13-11-7-14-10-6-15-17(12(10)16-11)4-3-9-2-1-5-18-8-9/h6-7,9H,1-5,8H2,(H2,13,16)/t9-/m0/s1
InChIKeyGPAMIHPOXSAMAJ-VIFPVBQESA-N
MW247.30 g/mol
LogP1.23
Rot. Bonds3

About 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine

1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (PubChem CID 175872463) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
PubChem CID175872463
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine
SMILESNc1cnc2cnn(CC[C@@H]3CCCOC3)c2n1
InChIInChI=1S/C12H17N5O/c13-11-7-14-10-6-15-17(12(10)16-11)4-3-9-2-1-5-18-8-9/h6-7,9H,1-5,8H2,(H2,13,16)/t9-/m0/s1
InChIKeyGPAMIHPOXSAMAJ-VIFPVBQESA-N
XLogP1.23
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine (CID 175872463) is 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is Nc1cnc2cnn(CC[C@@H]3CCCOC3)c2n1.
What is the InChIKey of 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
The InChIKey is GPAMIHPOXSAMAJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N5O/c13-11-7-14-10-6-15-17(12(10)16-11)4-3-9-2-1-5-18-8-9/h6-7,9H,1-5,8H2,(H2,13,16)/t9-/m0/s1.
What are the key properties of 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine?
1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine has a molecular weight of 247.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-oxan-3-yl]ethyl]pyrazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 175872463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).