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

C17H24N6O2 — CID 154768128

IUPAC3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)c(C(=O)N2Cc3nnc(C)n3CC2CN(C)C)c1
InChIInChI=1S/C17H24N6O2/c1-5-12-6-14(16(24)18-7-12)17(25)23-10-15-20-19-11(2)22(15)9-13(23)8-21(3)4/h6-7,13H,5,8-10H2,1-4H3,(H,18,24)
InChIKeyZRNBDKDGGPZLHH-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.42
Rot. Bonds4

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

3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one (PubChem CID 154768128) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one
PubChem CID154768128
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one
SMILESCCc1c[nH]c(=O)c(C(=O)N2Cc3nnc(C)n3CC2CN(C)C)c1
InChIInChI=1S/C17H24N6O2/c1-5-12-6-14(16(24)18-7-12)17(25)23-10-15-20-19-11(2)22(15)9-13(23)8-21(3)4/h6-7,13H,5,8-10H2,1-4H3,(H,18,24)
InChIKeyZRNBDKDGGPZLHH-UHFFFAOYSA-N
XLogP0.42
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one?
The IUPAC name of 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one (CID 154768128) is 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one is CCc1c[nH]c(=O)c(C(=O)N2Cc3nnc(C)n3CC2CN(C)C)c1.
What is the InChIKey of 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one?
The InChIKey is ZRNBDKDGGPZLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-5-12-6-14(16(24)18-7-12)17(25)23-10-15-20-19-11(2)22(15)9-13(23)8-21(3)4/h6-7,13H,5,8-10H2,1-4H3,(H,18,24).
What are the key properties of 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one?
3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one has a molecular weight of 344.42 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(dimethylamino)methyl]-3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-5-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 154768128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).