(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride

C13H14ClN3 — CID 68888976

IUPAC(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride
SMILESC[C@@H]1CNCc2cc3cccc(C#N)c3n21.Cl
InChIInChI=1S/C13H13N3.ClH/c1-9-7-15-8-12-5-10-3-2-4-11(6-14)13(10)16(9)12;/h2-5,9,15H,7-8H2,1H3;1H/t9-;/m1./s1
InChIKeyNZVRDGCDQLEPMN-SBSPUUFOSA-N
MW247.73 g/mol
LogP2.60
Rot. Bonds

About (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride

(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride (PubChem CID 68888976) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride.

Molecular Properties

Compound Name(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride
PubChem CID68888976
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride
SMILESC[C@@H]1CNCc2cc3cccc(C#N)c3n21.Cl
InChIInChI=1S/C13H13N3.ClH/c1-9-7-15-8-12-5-10-3-2-4-11(6-14)13(10)16(9)12;/h2-5,9,15H,7-8H2,1H3;1H/t9-;/m1./s1
InChIKeyNZVRDGCDQLEPMN-SBSPUUFOSA-N
XLogP2.60
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydro-beta-carboline
CID 107838
Rimcazole
CID 53389
Pirlindole
CID 68802
1-Methyl-1H-indole-3-ethylamine
CID 23492
2-Methyl-1,2,3,4-tetrahydro-beta-carboline
CID 121896
Pyrazidole
CID 115141
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
Rimcazole dihydrochloride
CID 53388
9H-Carbazol-3-amine, 9-ethyl-, hydrochloride (1:1)
CID 62130
Indole-5-carbonitrile
CID 27513
2-(2-methyl-1H-indol-3-yl)acetonitrile
CID 2802388
Tetrahydroharmane
CID 91522

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride?
The IUPAC name of (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride (CID 68888976) is (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride.
What is the SMILES notation for (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride?
The canonical SMILES for (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride is C[C@@H]1CNCc2cc3cccc(C#N)c3n21.Cl.
What is the InChIKey of (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride?
The InChIKey is NZVRDGCDQLEPMN-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H13N3.ClH/c1-9-7-15-8-12-5-10-3-2-4-11(6-14)13(10)16(9)12;/h2-5,9,15H,7-8H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride?
(4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole-6-carbonitrile;hydrochloride is sourced from PubChem (CID 68888976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).