6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C14H17ClN6 — CID 69205005

IUPAC6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESClc1cccc(-n2nnc(C3CCC4CNCCN43)n2)c1
InChIInChI=1S/C14H17ClN6/c15-10-2-1-3-11(8-10)21-18-14(17-19-21)13-5-4-12-9-16-6-7-20(12)13/h1-3,8,12-13,16H,4-7,9H2
InChIKeyWUUCFRABBATYCV-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.42
Rot. Bonds2

About 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 69205005) has the molecular formula C14H17ClN6 and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID69205005
Molecular FormulaC14H17ClN6
Molecular Weight304.78 g/mol
Exact Mass304.12
IUPAC Name6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESClc1cccc(-n2nnc(C3CCC4CNCCN43)n2)c1
InChIInChI=1S/C14H17ClN6/c15-10-2-1-3-11(8-10)21-18-14(17-19-21)13-5-4-12-9-16-6-7-20(12)13/h1-3,8,12-13,16H,4-7,9H2
InChIKeyWUUCFRABBATYCV-UHFFFAOYSA-N
XLogP1.42
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 69205005) is 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is Clc1cccc(-n2nnc(C3CCC4CNCCN43)n2)c1.
What is the InChIKey of 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is WUUCFRABBATYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c15-10-2-1-3-11(8-10)21-18-14(17-19-21)13-5-4-12-9-16-6-7-20(12)13/h1-3,8,12-13,16H,4-7,9H2.
What are the key properties of 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 304.78 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)tetrazol-5-yl]-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 69205005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).