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

C15H27N5 — CID 74230943

IUPAC8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCC(C)n1cncc1CN1CCN2CCN(C)CC2C1
InChIInChI=1S/C15H27N5/c1-13(2)20-12-16-8-14(20)10-18-5-7-19-6-4-17(3)9-15(19)11-18/h8,12-13,15H,4-7,9-11H2,1-3H3
InChIKeyHPOTUKFZUDADFC-UHFFFAOYSA-N
MW277.42 g/mol
LogP0.90
Rot. Bonds3

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

8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 74230943) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID74230943
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCC(C)n1cncc1CN1CCN2CCN(C)CC2C1
InChIInChI=1S/C15H27N5/c1-13(2)20-12-16-8-14(20)10-18-5-7-19-6-4-17(3)9-15(19)11-18/h8,12-13,15H,4-7,9-11H2,1-3H3
InChIKeyHPOTUKFZUDADFC-UHFFFAOYSA-N
XLogP0.90
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 74230943) is 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CC(C)n1cncc1CN1CCN2CCN(C)CC2C1.
What is the InChIKey of 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is HPOTUKFZUDADFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-13(2)20-12-16-8-14(20)10-18-5-7-19-6-4-17(3)9-15(19)11-18/h8,12-13,15H,4-7,9-11H2,1-3H3.
What are the key properties of 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 277.42 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(3-propan-2-ylimidazol-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 74230943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).