7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine

C12H13N3 — CID 68558757

IUPAC7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine
SMILESC1=CNc2cc3c(cc2=N1)CCNCC=3
InChIInChI=1S/C12H13N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1,5-8,13-14H,2-4H2
InChIKeyNFABNUOSLHMFAR-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.13
Rot. Bonds

About 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine

7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine (PubChem CID 68558757) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine
PubChem CID68558757
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine
SMILESC1=CNc2cc3c(cc2=N1)CCNCC=3
InChIInChI=1S/C12H13N3/c1-3-13-4-2-10-8-12-11(7-9(1)10)14-5-6-15-12/h1,5-8,13-14H,2-4H2
InChIKeyNFABNUOSLHMFAR-UHFFFAOYSA-N
XLogP0.13
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine?
The IUPAC name of 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine (CID 68558757) is 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine.
What is the SMILES notation for 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine?
The canonical SMILES for 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine is C1=CNc2cc3c(cc2=N1)CCNCC=3.
What is the InChIKey of 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine?
The InChIKey is NFABNUOSLHMFAR-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/h1,5-8,13-14H,2-4H2.
What are the key properties of 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine?
7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine has a molecular weight of 199.26 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,10-tetrahydro-4H-pyrazino[2,3-h][3]benzazepine is sourced from PubChem (CID 68558757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).