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

C21H22FN7O — CID 66604035

IUPAC5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1cc(-c2ncn[nH]2)c(F)cc1-c1cnc2c(n1)N(C1CCCCC1)C(=O)CN2
InChIInChI=1S/C21H22FN7O/c1-12-7-15(19-25-11-26-28-19)16(22)8-14(12)17-9-23-20-21(27-17)29(18(30)10-24-20)13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,23,24)(H,25,26,28)
InChIKeyKDQYBJKAQLMFGW-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.47
Rot. Bonds3

About 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

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 (PubChem CID 66604035) has the molecular formula C21H22FN7O and a molecular weight of 407.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
PubChem CID66604035
Molecular FormulaC21H22FN7O
Molecular Weight407.45 g/mol
Exact Mass407.19
IUPAC Name5-cyclohexyl-3-[5-fluoro-2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
SMILESCc1cc(-c2ncn[nH]2)c(F)cc1-c1cnc2c(n1)N(C1CCCCC1)C(=O)CN2
InChIInChI=1S/C21H22FN7O/c1-12-7-15(19-25-11-26-28-19)16(22)8-14(12)17-9-23-20-21(27-17)29(18(30)10-24-20)13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,23,24)(H,25,26,28)
InChIKeyKDQYBJKAQLMFGW-UHFFFAOYSA-N
XLogP3.47
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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-[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
3-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-5-(oxan-4-yl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;molecular hydrogen
CID 159072734
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
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
3-[6-(2-hydroxypropanoyl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 172739416
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
5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one
CID 66716343

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2ncn[nH]2)c(F)cc1-c1cnc2c(n1)N(C1CCCCC1)C(=O)CN2.
What is the InChIKey of 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?
The InChIKey is KDQYBJKAQLMFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O/c1-12-7-15(19-25-11-26-28-19)16(22)8-14(12)17-9-23-20-21(27-17)29(18(30)10-24-20)13-5-3-2-4-6-13/h7-9,11,13H,2-6,10H2,1H3,(H,23,24)(H,25,26,28).
What are the key properties of 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?
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 has a molecular weight of 407.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66604035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).