1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine

C11H13N3 — CID 144723256

IUPAC1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine
SMILESNc1ccc2cc3n(c2c1)CCNC3
InChIInChI=1S/C11H13N3/c12-9-2-1-8-5-10-7-13-3-4-14(10)11(8)6-9/h1-2,5-6,13H,3-4,7,12H2
InChIKeyUGSAYBIYUVSQIB-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.33
Rot. Bonds

About 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine

1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine (PubChem CID 144723256) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine.

Molecular Properties

Compound Name1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine
PubChem CID144723256
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine
SMILESNc1ccc2cc3n(c2c1)CCNC3
InChIInChI=1S/C11H13N3/c12-9-2-1-8-5-10-7-13-3-4-14(10)11(8)6-9/h1-2,5-6,13H,3-4,7,12H2
InChIKeyUGSAYBIYUVSQIB-UHFFFAOYSA-N
XLogP1.33
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine?
The IUPAC name of 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine (CID 144723256) is 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine.
What is the SMILES notation for 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine?
The canonical SMILES for 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine is Nc1ccc2cc3n(c2c1)CCNC3.
What is the InChIKey of 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine?
The InChIKey is UGSAYBIYUVSQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-9-2-1-8-5-10-7-13-3-4-14(10)11(8)6-9/h1-2,5-6,13H,3-4,7,12H2.
What are the key properties of 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine?
1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine has a molecular weight of 187.25 g/mol, XLogP of 1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydropyrazino[1,2-a]indol-7-amine is sourced from PubChem (CID 144723256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).