2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

C15H22ClN5O2 — CID 50974828

IUPAC2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCCCc1nc(Cl)c(CN2CCN3C(=O)CNC(=O)C3C2)[nH]1
InChIInChI=1S/C15H22ClN5O2/c1-2-3-4-12-18-10(14(16)19-12)8-20-5-6-21-11(9-20)15(23)17-7-13(21)22/h11H,2-9H2,1H3,(H,17,23)(H,18,19)
InChIKeyVZWOYIPUUKRNHA-UHFFFAOYSA-N
MW339.83 g/mol
LogP0.55
Rot. Bonds5

About 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione

2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 50974828) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID50974828
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Name2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
SMILESCCCCc1nc(Cl)c(CN2CCN3C(=O)CNC(=O)C3C2)[nH]1
InChIInChI=1S/C15H22ClN5O2/c1-2-3-4-12-18-10(14(16)19-12)8-20-5-6-21-11(9-20)15(23)17-7-13(21)22/h11H,2-9H2,1H3,(H,17,23)(H,18,19)
InChIKeyVZWOYIPUUKRNHA-UHFFFAOYSA-N
XLogP0.55
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione (CID 50974828) is 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is CCCCc1nc(Cl)c(CN2CCN3C(=O)CNC(=O)C3C2)[nH]1.
What is the InChIKey of 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is VZWOYIPUUKRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5O2/c1-2-3-4-12-18-10(14(16)19-12)8-20-5-6-21-11(9-20)15(23)17-7-13(21)22/h11H,2-9H2,1H3,(H,17,23)(H,18,19).
What are the key properties of 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione?
2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 339.83 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 50974828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).