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

C19H18FN5O — CID 67451905

IUPAC(4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C19H18FN5O/c1-12-4-3-5-16(21-12)18-23-22-17-13(2)24(10-11-25(17)18)19(26)14-6-8-15(20)9-7-14/h3-9,13H,10-11H2,1-2H3
InChIKeyRVCUMGFNZZXOKY-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.00
Rot. Bonds2

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

(4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 67451905) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID67451905
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name(4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1
InChIInChI=1S/C19H18FN5O/c1-12-4-3-5-16(21-12)18-23-22-17-13(2)24(10-11-25(17)18)19(26)14-6-8-15(20)9-7-14/h3-9,13H,10-11H2,1-2H3
InChIKeyRVCUMGFNZZXOKY-UHFFFAOYSA-N
XLogP3.00
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 67451905) is (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)C3C)n1.
What is the InChIKey of (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is RVCUMGFNZZXOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-12-4-3-5-16(21-12)18-23-22-17-13(2)24(10-11-25(17)18)19(26)14-6-8-15(20)9-7-14/h3-9,13H,10-11H2,1-2H3.
What are the key properties of (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 351.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[8-methyl-3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 67451905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).