4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride

C19H24ClF3N6O2 — CID 172909967

IUPAC4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.Cl
InChIInChI=1S/C19H23F3N6O2.ClH/c1-12-4-6-26(10-13-3-2-5-23-9-13)16(29)15(12)17(30)27-7-8-28-14(11-27)24-25-18(28)19(20,21)22;/h4,6,13,23H,2-3,5,7-11H2,1H3;1H
InChIKeyFHVKGPMJLDBOMP-UHFFFAOYSA-N
MW460.89 g/mol
LogP1.84
Rot. Bonds3

About 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride

4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride (PubChem CID 172909967) has the molecular formula C19H24ClF3N6O2 and a molecular weight of 460.89 g/mol. Its IUPAC name is 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride
PubChem CID172909967
Molecular FormulaC19H24ClF3N6O2
Molecular Weight460.89 g/mol
Exact Mass460.16
IUPAC Name4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.Cl
InChIInChI=1S/C19H23F3N6O2.ClH/c1-12-4-6-26(10-13-3-2-5-23-9-13)16(29)15(12)17(30)27-7-8-28-14(11-27)24-25-18(28)19(20,21)22;/h4,6,13,23H,2-3,5,7-11H2,1H3;1H
InChIKeyFHVKGPMJLDBOMP-UHFFFAOYSA-N
XLogP1.84
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.89
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride?
The IUPAC name of 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride (CID 172909967) is 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride?
The canonical SMILES for 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.Cl.
What is the InChIKey of 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride?
The InChIKey is FHVKGPMJLDBOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2.ClH/c1-12-4-6-26(10-13-3-2-5-23-9-13)16(29)15(12)17(30)27-7-8-28-14(11-27)24-25-18(28)19(20,21)22;/h4,6,13,23H,2-3,5,7-11H2,1H3;1H.
What are the key properties of 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride?
4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride has a molecular weight of 460.89 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 172909967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).