6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine

C13H17N5 — CID 159713944

IUPAC6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine
SMILESCC1C[C@H]2CC[C@@H](C1)N2c1cnc2cn[nH]c2n1
InChIInChI=1S/C13H17N5/c1-8-4-9-2-3-10(5-8)18(9)12-7-14-11-6-15-17-13(11)16-12/h6-10H,2-5H2,1H3,(H,15,16,17)/t8?,9-,10+
InChIKeyCWFAHVIVOBLVME-PBINXNQUSA-N
MW243.31 g/mol
LogP2.12
Rot. Bonds1

About 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine

6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine (PubChem CID 159713944) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine
PubChem CID159713944
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine
SMILESCC1C[C@H]2CC[C@@H](C1)N2c1cnc2cn[nH]c2n1
InChIInChI=1S/C13H17N5/c1-8-4-9-2-3-10(5-8)18(9)12-7-14-11-6-15-17-13(11)16-12/h6-10H,2-5H2,1H3,(H,15,16,17)/t8?,9-,10+
InChIKeyCWFAHVIVOBLVME-PBINXNQUSA-N
XLogP2.12
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine (CID 159713944) is 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine is CC1C[C@H]2CC[C@@H](C1)N2c1cnc2cn[nH]c2n1.
What is the InChIKey of 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine?
The InChIKey is CWFAHVIVOBLVME-PBINXNQUSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-4-9-2-3-10(5-8)18(9)12-7-14-11-6-15-17-13(11)16-12/h6-10H,2-5H2,1H3,(H,15,16,17)/t8?,9-,10+.
What are the key properties of 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine?
6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine has a molecular weight of 243.31 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,5S)-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-1H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 159713944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).