6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one

C18H25N5O3 — CID 164691749

IUPAC6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2Cc3nnc(COC)n3[C@@H](C)C2)c(=O)n1C
InChIInChI=1S/C18H25N5O3/c1-6-14-11(2)7-13(17(24)21(14)4)18(25)22-8-12(3)23-15(9-22)19-20-16(23)10-26-5/h7,12H,6,8-10H2,1-5H3/t12-/m0/s1
InChIKeyYSAXFRMKUNACDN-LBPRGKRZSA-N
MW359.43 g/mol
LogP1.21
Rot. Bonds4

About 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one

6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one (PubChem CID 164691749) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one
PubChem CID164691749
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one
SMILESCCc1c(C)cc(C(=O)N2Cc3nnc(COC)n3[C@@H](C)C2)c(=O)n1C
InChIInChI=1S/C18H25N5O3/c1-6-14-11(2)7-13(17(24)21(14)4)18(25)22-8-12(3)23-15(9-22)19-20-16(23)10-26-5/h7,12H,6,8-10H2,1-5H3/t12-/m0/s1
InChIKeyYSAXFRMKUNACDN-LBPRGKRZSA-N
XLogP1.21
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one?
The IUPAC name of 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one (CID 164691749) is 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one.
What is the SMILES notation for 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one?
The canonical SMILES for 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one is CCc1c(C)cc(C(=O)N2Cc3nnc(COC)n3[C@@H](C)C2)c(=O)n1C.
What is the InChIKey of 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one?
The InChIKey is YSAXFRMKUNACDN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-6-14-11(2)7-13(17(24)21(14)4)18(25)22-8-12(3)23-15(9-22)19-20-16(23)10-26-5/h7,12H,6,8-10H2,1-5H3/t12-/m0/s1.
What are the key properties of 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one?
6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one has a molecular weight of 359.43 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-1,5-dimethylpyridin-2-one is sourced from PubChem (CID 164691749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).