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

C22H27N5O3 — CID 142587518

IUPAC7-(cyclopropanecarbonyl)-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(=O)C2CC2)C3)cc1
InChIInChI=1S/C22H27N5O3/c1-15-4-6-16(7-5-15)12-26-22(30)27-18(21(29)24-10-2-3-11-24)13-25(14-19(27)23-26)20(28)17-8-9-17/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyCFKAIUPMMOAVRU-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.32
Rot. Bonds4

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

7-(cyclopropanecarbonyl)-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 142587518) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID142587518
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name7-(cyclopropanecarbonyl)-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(=O)C2CC2)C3)cc1
InChIInChI=1S/C22H27N5O3/c1-15-4-6-16(7-5-15)12-26-22(30)27-18(21(29)24-10-2-3-11-24)13-25(14-19(27)23-26)20(28)17-8-9-17/h4-7,17-18H,2-3,8-14H2,1H3
InChIKeyCFKAIUPMMOAVRU-UHFFFAOYSA-N
XLogP1.32
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 142587518) is 7-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-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(=O)C2CC2)C3)cc1.
What is the InChIKey of 7-(cyclopropanecarbonyl)-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 CFKAIUPMMOAVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-4-6-16(7-5-15)12-26-22(30)27-18(21(29)24-10-2-3-11-24)13-25(14-19(27)23-26)20(28)17-8-9-17/h4-7,17-18H,2-3,8-14H2,1H3.
What are the key properties of 7-(cyclopropanecarbonyl)-2-[(4-methylphenyl)methyl]-5-(pyrrolidine-1-carbonyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-(cyclopropanecarbonyl)-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 409.49 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-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 142587518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).