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

C13H14N4O3 — CID 63586636

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H14N4O3/c1-20-9-2-3-11(18)10(6-9)13(19)16-4-5-17-8-14-15-12(17)7-16/h2-3,6,8,18H,4-5,7H2,1H3
InChIKeyLUFLVXHTCWGWJW-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.65
Rot. Bonds2

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone (PubChem CID 63586636) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone
PubChem CID63586636
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone
SMILESCOc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1
InChIInChI=1S/C13H14N4O3/c1-20-9-2-3-11(18)10(6-9)13(19)16-4-5-17-8-14-15-12(17)7-16/h2-3,6,8,18H,4-5,7H2,1H3
InChIKeyLUFLVXHTCWGWJW-UHFFFAOYSA-N
XLogP0.65
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-4-methylphenyl)methanone
CID 63586995
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2,3-dimethoxyphenyl)methanone
CID 53193587
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-sulfanylphenyl)methanone
CID 107030887
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
(2-bromo-3-methylphenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 103854269
(4-chloro-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 81233345
(2-amino-3-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64574910
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3-(trifluoromethyl)benzoic acid
CID 167785105

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone (CID 63586636) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone is COc1ccc(O)c(C(=O)N2CCn3cnnc3C2)c1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone?
The InChIKey is LUFLVXHTCWGWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-9-2-3-11(18)10(6-9)13(19)16-4-5-17-8-14-15-12(17)7-16/h2-3,6,8,18H,4-5,7H2,1H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone has a molecular weight of 274.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-hydroxy-5-methoxyphenyl)methanone is sourced from PubChem (CID 63586636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).