3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C11H17N5 — CID 123132957

IUPAC3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCC1NNC2CNC(c3cnccn3)CC12
InChIInChI=1S/C11H17N5/c1-7-8-4-9(11-5-12-2-3-13-11)14-6-10(8)16-15-7/h2-3,5,7-10,14-16H,4,6H2,1H3
InChIKeyFNUOXRLRZWQGEZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.01
Rot. Bonds1

About 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123132957) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID123132957
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCC1NNC2CNC(c3cnccn3)CC12
InChIInChI=1S/C11H17N5/c1-7-8-4-9(11-5-12-2-3-13-11)14-6-10(8)16-15-7/h2-3,5,7-10,14-16H,4,6H2,1H3
InChIKeyFNUOXRLRZWQGEZ-UHFFFAOYSA-N
XLogP-0.01
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 123132957) is 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is CC1NNC2CNC(c3cnccn3)CC12.
What is the InChIKey of 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is FNUOXRLRZWQGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-7-8-4-9(11-5-12-2-3-13-11)14-6-10(8)16-15-7/h2-3,5,7-10,14-16H,4,6H2,1H3.
What are the key properties of 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 219.29 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123132957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).