(9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C15H26N4 — CID 124756423

IUPAC(9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)n1ccnc1CN1CCN2CCCC[C@H]2C1
InChIInChI=1S/C15H26N4/c1-13(2)19-8-6-16-15(19)12-17-9-10-18-7-4-3-5-14(18)11-17/h6,8,13-14H,3-5,7,9-12H2,1-2H3/t14-/m0/s1
InChIKeySQDOWDYEQMUCPP-AWEZNQCLSA-N
MW262.40 g/mol
LogP2.13
Rot. Bonds3

About (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

(9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 124756423) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name(9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID124756423
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCC(C)n1ccnc1CN1CCN2CCCC[C@H]2C1
InChIInChI=1S/C15H26N4/c1-13(2)19-8-6-16-15(19)12-17-9-10-18-7-4-3-5-14(18)11-17/h6,8,13-14H,3-5,7,9-12H2,1-2H3/t14-/m0/s1
InChIKeySQDOWDYEQMUCPP-AWEZNQCLSA-N
XLogP2.13
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 124756423) is (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CC(C)n1ccnc1CN1CCN2CCCC[C@H]2C1.
What is the InChIKey of (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is SQDOWDYEQMUCPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H26N4/c1-13(2)19-8-6-16-15(19)12-17-9-10-18-7-4-3-5-14(18)11-17/h6,8,13-14H,3-5,7,9-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
(9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 262.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 124756423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).