4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine

C10H13N — CID 18719720

IUPAC4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine
SMILES[3H]C1NCCc2ccccc2C1([3H])[3H]
InChIInChI=1S/C10H13N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-4,11H,5-8H2/i5T2,7T
InChIKeyMWVMYAWMFTVYED-WYKQUDHLSA-N
MW153.25 g/mol
LogP1.37
Rot. Bonds

About 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine

4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine (PubChem CID 18719720) has the molecular formula C10H13N and a molecular weight of 153.25 g/mol. Its IUPAC name is 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine
PubChem CID18719720
Molecular FormulaC10H13N
Molecular Weight153.25 g/mol
Exact Mass153.13
IUPAC Name4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine
SMILES[3H]C1NCCc2ccccc2C1([3H])[3H]
InChIInChI=1S/C10H13N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-4,11H,5-8H2/i5T2,7T
InChIKeyMWVMYAWMFTVYED-WYKQUDHLSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine?
The IUPAC name of 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine (CID 18719720) is 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine.
What is the SMILES notation for 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine?
The canonical SMILES for 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine is [3H]C1NCCc2ccccc2C1([3H])[3H].
What is the InChIKey of 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine?
The InChIKey is MWVMYAWMFTVYED-WYKQUDHLSA-N. The full InChI is InChI=1S/C10H13N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-4,11H,5-8H2/i5T2,7T.
What are the key properties of 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine?
4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine has a molecular weight of 153.25 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-tritritio-1,2,3,4-tetrahydro-3-benzazepine is sourced from PubChem (CID 18719720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).