9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole

C11H12N2 — CID 20824956

IUPAC9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole
SMILES[2H]C1C2([2H])CC=CC=C2N2C=CN=CC12[2H]
InChIInChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-2,4-6,8-10H,3,7H2/i7D,9D,10D
InChIKeyMFAZXQFBIHWWMD-WUVVEJKKSA-N
MW175.25 g/mol
LogP2.08
Rot. Bonds

About 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole

9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole (PubChem CID 20824956) has the molecular formula C11H12N2 and a molecular weight of 175.25 g/mol. Its IUPAC name is 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole
PubChem CID20824956
Molecular FormulaC11H12N2
Molecular Weight175.25 g/mol
Exact Mass175.12
IUPAC Name9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole
SMILES[2H]C1C2([2H])CC=CC=C2N2C=CN=CC12[2H]
InChIInChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-2,4-6,8-10H,3,7H2/i7D,9D,10D
InChIKeyMFAZXQFBIHWWMD-WUVVEJKKSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole?
The IUPAC name of 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole (CID 20824956) is 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole.
What is the SMILES notation for 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole?
The canonical SMILES for 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole is [2H]C1C2([2H])CC=CC=C2N2C=CN=CC12[2H].
What is the InChIKey of 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole?
The InChIKey is MFAZXQFBIHWWMD-WUVVEJKKSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h1-2,4-6,8-10H,3,7H2/i7D,9D,10D.
What are the key properties of 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole?
9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole has a molecular weight of 175.25 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9a,10,10a-trideuterio-9,10-dihydropyrazino[1,2-a]indole is sourced from PubChem (CID 20824956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).