4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one

C21H23N5O2 — CID 172655218

IUPAC4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C21H23N5O2/c1-14-9-10-25(15(2)17-7-5-4-6-8-17)21(28)19(14)20(27)24-11-12-26-16(3)22-23-18(26)13-24/h4-10,15H,11-13H2,1-3H3
InChIKeyRYCFNLLDGNKUNR-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.32
Rot. Bonds3

About 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one

4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one (PubChem CID 172655218) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one
PubChem CID172655218
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one
SMILESCc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCn2c(C)nnc2C1
InChIInChI=1S/C21H23N5O2/c1-14-9-10-25(15(2)17-7-5-4-6-8-17)21(28)19(14)20(27)24-11-12-26-16(3)22-23-18(26)13-24/h4-10,15H,11-13H2,1-3H3
InChIKeyRYCFNLLDGNKUNR-UHFFFAOYSA-N
XLogP2.32
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one?
The IUPAC name of 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one (CID 172655218) is 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one?
The canonical SMILES for 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one is Cc1ccn(C(C)c2ccccc2)c(=O)c1C(=O)N1CCn2c(C)nnc2C1.
What is the InChIKey of 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one?
The InChIKey is RYCFNLLDGNKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-9-10-25(15(2)17-7-5-4-6-8-17)21(28)19(14)20(27)24-11-12-26-16(3)22-23-18(26)13-24/h4-10,15H,11-13H2,1-3H3.
What are the key properties of 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one?
4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-1-(1-phenylethyl)pyridin-2-one is sourced from PubChem (CID 172655218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).