3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

C14H19BrN4O2 — CID 86696615

IUPAC3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc(Br)nc32)CC1
InChIInChI=1S/C14H19BrN4O2/c1-21-10-4-2-9(3-5-10)8-19-12(20)7-17-13-14(19)18-11(15)6-16-13/h6,9-10H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyRBCIZFTUWNECGB-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.20
Rot. Bonds3

About 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one

3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (PubChem CID 86696615) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID86696615
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCOC1CCC(CN2C(=O)CNc3ncc(Br)nc32)CC1
InChIInChI=1S/C14H19BrN4O2/c1-21-10-4-2-9(3-5-10)8-19-12(20)7-17-13-14(19)18-11(15)6-16-13/h6,9-10H,2-5,7-8H2,1H3,(H,16,17)
InChIKeyRBCIZFTUWNECGB-UHFFFAOYSA-N
XLogP2.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The IUPAC name of 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one (CID 86696615) is 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one.
What is the SMILES notation for 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The canonical SMILES for 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is COC1CCC(CN2C(=O)CNc3ncc(Br)nc32)CC1.
What is the InChIKey of 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
The InChIKey is RBCIZFTUWNECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-21-10-4-2-9(3-5-10)8-19-12(20)7-17-13-14(19)18-11(15)6-16-13/h6,9-10H,2-5,7-8H2,1H3,(H,16,17).
What are the key properties of 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one?
3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one has a molecular weight of 355.24 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(4-methoxycyclohexyl)methyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one is sourced from PubChem (CID 86696615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).