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

C19H23F3N6O2 — CID 172663694

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
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C19H23F3N6O2/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
InChIKeyDQYWLAHNWWBTJS-UHFFFAOYSA-N
MW424.43 g/mol
LogP1.42
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

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 (PubChem CID 172663694) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 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.

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
PubChem CID172663694
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
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
SMILESCc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C19H23F3N6O2/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
InChIKeyDQYWLAHNWWBTJS-UHFFFAOYSA-N
XLogP1.42
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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?
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 (CID 172663694) 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.
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?
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 is Cc1ccn(CC2CCCNC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
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?
The InChIKey is DQYWLAHNWWBTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/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.
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?
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 has a molecular weight of 424.43 g/mol, XLogP of 1.42, 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 is sourced from PubChem (CID 172663694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).