7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C19H25N5O2 — CID 142587523

IUPAC7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(Cn2nc3n(c2=O)C(C(=O)N2CCCC2)CN(C)C3)cc1
InChIInChI=1S/C19H25N5O2/c1-14-5-7-15(8-6-14)11-23-19(26)24-16(12-21(2)13-17(24)20-23)18(25)22-9-3-4-10-22/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyQBWRGTWFIDSGTJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.01
Rot. Bonds3

About 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 142587523) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID142587523
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1ccc(Cn2nc3n(c2=O)C(C(=O)N2CCCC2)CN(C)C3)cc1
InChIInChI=1S/C19H25N5O2/c1-14-5-7-15(8-6-14)11-23-19(26)24-16(12-21(2)13-17(24)20-23)18(25)22-9-3-4-10-22/h5-8,16H,3-4,9-13H2,1-2H3
InChIKeyQBWRGTWFIDSGTJ-UHFFFAOYSA-N
XLogP1.01
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 142587523) is 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1ccc(Cn2nc3n(c2=O)C(C(=O)N2CCCC2)CN(C)C3)cc1.
What is the InChIKey of 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is QBWRGTWFIDSGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-5-7-15(8-6-14)11-23-19(26)24-16(12-21(2)13-17(24)20-23)18(25)22-9-3-4-10-22/h5-8,16H,3-4,9-13H2,1-2H3.
What are the key properties of 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 142587523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).