[2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C19H15ClF3N5O — CID 118950171

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H15ClF3N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
InChIKeySIZSYSCZGKCDPI-UHFFFAOYSA-N
MW421.81 g/mol
LogP4.23
Rot. Bonds2

About [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

[2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 118950171) has the molecular formula C19H15ClF3N5O and a molecular weight of 421.81 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID118950171
Molecular FormulaC19H15ClF3N5O
Molecular Weight421.81 g/mol
Exact Mass421.09
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H15ClF3N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3
InChIKeySIZSYSCZGKCDPI-UHFFFAOYSA-N
XLogP4.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.81
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 118950171) is [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CC1c2nnc(-c3ccccn3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is SIZSYSCZGKCDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O/c1-11-16-25-26-17(14-7-2-3-8-24-14)28(16)10-9-27(11)18(29)12-5-4-6-13(15(12)20)19(21,22)23/h2-8,11H,9-10H2,1H3.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 421.81 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-(8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 118950171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).