(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine

C12H16N2 — CID 45115727

IUPAC(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine
SMILESCN1CCN[C@H]2c3ccccc3C[C@@H]21
InChIInChI=1S/C12H16N2/c1-14-7-6-13-12-10-5-3-2-4-9(10)8-11(12)14/h2-5,11-13H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyPYTAZDORQTXQBH-RYUDHWBXSA-N
MW188.27 g/mol
LogP1.19
Rot. Bonds

About (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine

(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine (PubChem CID 45115727) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine.

Molecular Properties

Compound Name(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine
PubChem CID45115727
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine
SMILESCN1CCN[C@H]2c3ccccc3C[C@@H]21
InChIInChI=1S/C12H16N2/c1-14-7-6-13-12-10-5-3-2-4-9(10)8-11(12)14/h2-5,11-13H,6-8H2,1H3/t11-,12-/m0/s1
InChIKeyPYTAZDORQTXQBH-RYUDHWBXSA-N
XLogP1.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine?
The IUPAC name of (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine (CID 45115727) is (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine.
What is the SMILES notation for (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine?
The canonical SMILES for (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine is CN1CCN[C@H]2c3ccccc3C[C@@H]21.
What is the InChIKey of (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine?
The InChIKey is PYTAZDORQTXQBH-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H16N2/c1-14-7-6-13-12-10-5-3-2-4-9(10)8-11(12)14/h2-5,11-13H,6-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine?
(4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine has a molecular weight of 188.27 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-1-methyl-2,3,4,4a,9,9a-hexahydroindeno[1,2-b]pyrazine is sourced from PubChem (CID 45115727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).