6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C15H26N4 — CID 102678460

IUPAC6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCc1nn(C)c(C)c1C(C)N1CC2CCCNC2C1
InChIInChI=1S/C15H26N4/c1-10-15(11(2)18(4)17-10)12(3)19-8-13-6-5-7-16-14(13)9-19/h12-14,16H,5-9H2,1-4H3
InChIKeyWAMQBWKVABYIBK-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.78
Rot. Bonds2

About 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 102678460) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID102678460
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCc1nn(C)c(C)c1C(C)N1CC2CCCNC2C1
InChIInChI=1S/C15H26N4/c1-10-15(11(2)18(4)17-10)12(3)19-8-13-6-5-7-16-14(13)9-19/h12-14,16H,5-9H2,1-4H3
InChIKeyWAMQBWKVABYIBK-UHFFFAOYSA-N
XLogP1.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 102678460) is 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is Cc1nn(C)c(C)c1C(C)N1CC2CCCNC2C1.
What is the InChIKey of 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is WAMQBWKVABYIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-10-15(11(2)18(4)17-10)12(3)19-8-13-6-5-7-16-14(13)9-19/h12-14,16H,5-9H2,1-4H3.
What are the key properties of 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 262.40 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 102678460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).