N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine

C14H19N5 — CID 104731945

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESc1cn2nccc2c(NC2CCN3CCCC3C2)n1
InChIInChI=1S/C14H19N5/c1-2-12-10-11(4-8-18(12)7-1)17-14-13-3-5-16-19(13)9-6-15-14/h3,5-6,9,11-12H,1-2,4,7-8,10H2,(H,15,17)
InChIKeyFULSHYOMZQCMEI-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.77
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104731945) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104731945
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESc1cn2nccc2c(NC2CCN3CCCC3C2)n1
InChIInChI=1S/C14H19N5/c1-2-12-10-11(4-8-18(12)7-1)17-14-13-3-5-16-19(13)9-6-15-14/h3,5-6,9,11-12H,1-2,4,7-8,10H2,(H,15,17)
InChIKeyFULSHYOMZQCMEI-UHFFFAOYSA-N
XLogP1.77
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104731945) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine is c1cn2nccc2c(NC2CCN3CCCC3C2)n1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is FULSHYOMZQCMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-12-10-11(4-8-18(12)7-1)17-14-13-3-5-16-19(13)9-6-15-14/h3,5-6,9,11-12H,1-2,4,7-8,10H2,(H,15,17).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104731945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).