[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone

C15H19N5O2 — CID 131695548

IUPAC[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCOCc1nnc2n1CCN(C(=O)c1cncc(C)c1)C2C
InChIInChI=1S/C15H19N5O2/c1-10-6-12(8-16-7-10)15(21)19-4-5-20-13(9-22-3)17-18-14(20)11(19)2/h6-8,11H,4-5,9H2,1-3H3
InChIKeyCDAIOZWZUPLAHO-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.34
Rot. Bonds3

About [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone

[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone (PubChem CID 131695548) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone
PubChem CID131695548
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone
SMILESCOCc1nnc2n1CCN(C(=O)c1cncc(C)c1)C2C
InChIInChI=1S/C15H19N5O2/c1-10-6-12(8-16-7-10)15(21)19-4-5-20-13(9-22-3)17-18-14(20)11(19)2/h6-8,11H,4-5,9H2,1-3H3
InChIKeyCDAIOZWZUPLAHO-UHFFFAOYSA-N
XLogP1.34
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone (CID 131695548) is [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone is COCc1nnc2n1CCN(C(=O)c1cncc(C)c1)C2C.
What is the InChIKey of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone?
The InChIKey is CDAIOZWZUPLAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-6-12(8-16-7-10)15(21)19-4-5-20-13(9-22-3)17-18-14(20)11(19)2/h6-8,11H,4-5,9H2,1-3H3.
What are the key properties of [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone?
[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 131695548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).