1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine

C8H17N3 — CID 83670813

IUPAC1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
SMILESC1CNCC2CNCCN2C1
InChIInChI=1S/C8H17N3/c1-2-9-6-8-7-10-3-5-11(8)4-1/h8-10H,1-7H2
InChIKeyOCLPXUZSJUDIPU-UHFFFAOYSA-N
MW155.25 g/mol
LogP-0.75
Rot. Bonds

About 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine

1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine (PubChem CID 83670813) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine.

Molecular Properties

Compound Name1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
PubChem CID83670813
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine
SMILESC1CNCC2CNCCN2C1
InChIInChI=1S/C8H17N3/c1-2-9-6-8-7-10-3-5-11(8)4-1/h8-10H,1-7H2
InChIKeyOCLPXUZSJUDIPU-UHFFFAOYSA-N
XLogP-0.75
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine?
The IUPAC name of 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine (CID 83670813) is 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine.
What is the SMILES notation for 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine?
The canonical SMILES for 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine is C1CNCC2CNCCN2C1.
What is the InChIKey of 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine?
The InChIKey is OCLPXUZSJUDIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-2-9-6-8-7-10-3-5-11(8)4-1/h8-10H,1-7H2.
What are the key properties of 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine?
1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine has a molecular weight of 155.25 g/mol, XLogP of -0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,6,7,8,9,10,10a-decahydropyrazino[1,2-a][1,4]diazepine is sourced from PubChem (CID 83670813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).