cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol

C23H30FN7O2 — CID 159260556

IUPACcyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol
SMILESC1CCCCC1.CO.Cc1cc(-c2ncn[nH]2)c(F)cc1-c1cnc2c(n1)N(C)C(=O)CN2
InChIInChI=1S/C16H14FN7O.C6H12.CH4O/c1-8-3-10(14-20-7-21-23-14)11(17)4-9(8)12-5-18-15-16(22-12)24(2)13(25)6-19-15;1-2-4-6-5-3-1;1-2/h3-5,7H,6H2,1-2H3,(H,18,19)(H,20,21,23);1-6H2;2H,1H3
InChIKeyKWLLRLZGPRYHNN-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.71
Rot. Bonds2

About cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol

cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol (PubChem CID 159260556) has the molecular formula C23H30FN7O2 and a molecular weight of 455.54 g/mol. Its IUPAC name is cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol.

Molecular Properties

Compound Namecyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol
PubChem CID159260556
Molecular FormulaC23H30FN7O2
Molecular Weight455.54 g/mol
Exact Mass455.24
IUPAC Namecyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol
SMILESC1CCCCC1.CO.Cc1cc(-c2ncn[nH]2)c(F)cc1-c1cnc2c(n1)N(C)C(=O)CN2
InChIInChI=1S/C16H14FN7O.C6H12.CH4O/c1-8-3-10(14-20-7-21-23-14)11(17)4-9(8)12-5-18-15-16(22-12)24(2)13(25)6-19-15;1-2-4-6-5-3-1;1-2/h3-5,7H,6H2,1-2H3,(H,18,19)(H,20,21,23);1-6H2;2H,1H3
InChIKeyKWLLRLZGPRYHNN-UHFFFAOYSA-N
XLogP3.71
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66604035
4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboxamide
CID 66604018
N'-methanimidoyl-4-methyl-5-(5-methyl-6-oxo-7,8-dihydropyrazino[2,3-b]pyrazin-3-yl)pyridine-2-carboximidamide
CID 66604103
5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;hydrochloride
CID 67153895
ethene;5-ethyl-3-[2-methyl-6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 144947864
3-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 149359945
8-cyclohexyl-2-[3-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66603686
3-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydro-5H-pyrazino[2,3-b]pyrazin-6-one;hydrochloride
CID 66607734
2,8-dimethyl-5,6-dihydropteridin-7-one
CID 121388812
6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]spiro[2,4-dihydro-1H-pyrazino[2,3-b]pyrazine-3,1'-cyclopropane]-2-ol
CID 129134921
6-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-4-(oxan-4-ylmethyl)spiro[1H-pyrazino[2,3-b]pyrazine-3,1'-cyclobutane]-2-one;molecular hydrogen
CID 158185285
2-[5-fluoro-4-(4H-imidazol-2-yl)-2-methylphenyl]-8-(oxan-4-yl)-5,7-dihydropyrazino[2,3-b]pyrazin-6-one
CID 149320416

Frequently Asked Questions

What is the IUPAC name of cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol?
The IUPAC name of cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol (CID 159260556) is cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol.
What is the SMILES notation for cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol?
The canonical SMILES for cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol is C1CCCCC1.CO.Cc1cc(-c2ncn[nH]2)c(F)cc1-c1cnc2c(n1)N(C)C(=O)CN2.
What is the InChIKey of cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol?
The InChIKey is KWLLRLZGPRYHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN7O.C6H12.CH4O/c1-8-3-10(14-20-7-21-23-14)11(17)4-9(8)12-5-18-15-16(22-12)24(2)13(25)6-19-15;1-2-4-6-5-3-1;1-2/h3-5,7H,6H2,1-2H3,(H,18,19)(H,20,21,23);1-6H2;2H,1H3.
What are the key properties of cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol?
cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol has a molecular weight of 455.54 g/mol, XLogP of 3.71, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-5-methyl-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methanol is sourced from PubChem (CID 159260556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).