7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C18H19N5O2 — CID 134792028

IUPAC7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CN2CCn3c(nn(-c4ccncc4)c3=O)C2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-16-4-2-14(3-5-16)12-21-10-11-22-17(13-21)20-23(18(22)24)15-6-8-19-9-7-15/h2-9H,10-13H2,1H3
InChIKeyRSWXLYHJDNJJDX-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.45
Rot. Bonds4

About 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 134792028) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID134792028
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCOc1ccc(CN2CCn3c(nn(-c4ccncc4)c3=O)C2)cc1
InChIInChI=1S/C18H19N5O2/c1-25-16-4-2-14(3-5-16)12-21-10-11-22-17(13-21)20-23(18(22)24)15-6-8-19-9-7-15/h2-9H,10-13H2,1H3
InChIKeyRSWXLYHJDNJJDX-UHFFFAOYSA-N
XLogP1.45
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 134792028) is 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is COc1ccc(CN2CCn3c(nn(-c4ccncc4)c3=O)C2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is RSWXLYHJDNJJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-25-16-4-2-14(3-5-16)12-21-10-11-22-17(13-21)20-23(18(22)24)15-6-8-19-9-7-15/h2-9H,10-13H2,1H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 134792028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).