2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C17H24N4O2 — CID 134788196

IUPAC2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(CCC(C)C)C3)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)8-9-19-10-11-20-16(12-19)18-21(17(20)22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyGEVMHNWYHLUJDP-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.90
Rot. Bonds5

About 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134788196) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134788196
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(-n2nc3n(c2=O)CCN(CCC(C)C)C3)cc1
InChIInChI=1S/C17H24N4O2/c1-13(2)8-9-19-10-11-20-16(12-19)18-21(17(20)22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyGEVMHNWYHLUJDP-UHFFFAOYSA-N
XLogP1.90
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-Dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one
CID 4445082
4-(4-methoxyphenyl)-5-methyl-2-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3705004
2-(cyclopropylmethyl)-5-methyl-4-(4-phenoxyphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 4302383
2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one
CID 4246597
4-(4-methoxyphenyl)-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 3682674
4-amino-2-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-1(2H)-one
CID 10709852
3-(4-methoxyphenyl)-5-piperazin-1-yl-4H-imidazol-2-one
CID 44408470
4-Benzylureido-1,2-dihydro-2-(4-methoxyphenyl)-1,2,4-triazolo[4,3-a]quinoxalin-1-one
CID 44586254
2-[4-[4-(4-Methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 118713089
2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazine-3,8(2H,7H)-dione
CID 137632356
8-amino-2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 137633810
8-amino-2-(4-methoxyphenyl)-6-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
CID 137644190

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134788196) is 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(-n2nc3n(c2=O)CCN(CCC(C)C)C3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is GEVMHNWYHLUJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)8-9-19-10-11-20-16(12-19)18-21(17(20)22)14-4-6-15(23-3)7-5-14/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 316.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-7-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134788196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).