7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine

C12H13N3 — CID 90814858

IUPAC7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine
SMILESC1=Nc2cc3c(cc2=NC1)CCNCC=3
InChIInChI=1S/C12H13N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1,5,7-8,13H,2-4,6H2
InChIKeyHZOIKUFUNJJILY-UHFFFAOYSA-N
MW199.26 g/mol
LogP-0.05
Rot. Bonds

About 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine

7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine (PubChem CID 90814858) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine
PubChem CID90814858
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine
SMILESC1=Nc2cc3c(cc2=NC1)CCNCC=3
InChIInChI=1S/C12H13N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1,5,7-8,13H,2-4,6H2
InChIKeyHZOIKUFUNJJILY-UHFFFAOYSA-N
XLogP-0.05
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydropyridoindole
CID 66976705
Tetrahydroindolo[2,3-d]azepine
CID 87087142
Bis(3 pyridylidene)piperidin
CID 132275763
N-(2H-pyridin-2-id-3-ylmethyl)aniline;tungsten(2+)
CID 59093785
7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine
CID 68558757
1,2,3,4,4a,5-Hexahydro-2,7-phenanthroline
CID 68774632
2,3,4,5-tetrahydro-1H-pyrido[2,3-d]azepine
CID 69029528
2,3,4,5-tetrahydro-1H-pyrazino[2,3-h][3]benzazepine
CID 69736688
2,3,4,5-tetrahydro-1H-pyrido[3,4-h][3]benzazepine
CID 69737331
5-methylidene-1H-1,10-phenanthroline
CID 88288023
2-(1,2-Dihydropyridin-6-yl)-3,4-dihydropyridine
CID 89050135
4-Methyl-6,7-dihydro-1,6-naphthyridine
CID 89263435

Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine?
The IUPAC name of 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine (CID 90814858) is 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine.
What is the SMILES notation for 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine?
The canonical SMILES for 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine is C1=Nc2cc3c(cc2=NC1)CCNCC=3.
What is the InChIKey of 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine?
The InChIKey is HZOIKUFUNJJILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1,5,7-8,13H,2-4,6H2.
What are the key properties of 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine?
7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine has a molecular weight of 199.26 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-2H-pyrazino[2,3-h][3]benzazepine is sourced from PubChem (CID 90814858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).