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

C12H10ClF3N6O — CID 171675284

IUPAC(5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C12H10ClF3N6O/c1-6-17-4-7(13)9(18-6)10(23)21-2-3-22-8(5-21)19-20-11(22)12(14,15)16/h4H,2-3,5H2,1H3
InChIKeyLIDANLDPJMUTLO-UHFFFAOYSA-N
MW346.70 g/mol
LogP1.70
Rot. Bonds1

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

(5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 171675284) has the molecular formula C12H10ClF3N6O and a molecular weight of 346.70 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID171675284
Molecular FormulaC12H10ClF3N6O
Molecular Weight346.70 g/mol
Exact Mass346.06
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C12H10ClF3N6O/c1-6-17-4-7(13)9(18-6)10(23)21-2-3-22-8(5-21)19-20-11(22)12(14,15)16/h4H,2-3,5H2,1H3
InChIKeyLIDANLDPJMUTLO-UHFFFAOYSA-N
XLogP1.70
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 171675284) is (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1ncc(Cl)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)n1.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is LIDANLDPJMUTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N6O/c1-6-17-4-7(13)9(18-6)10(23)21-2-3-22-8(5-21)19-20-11(22)12(14,15)16/h4H,2-3,5H2,1H3.
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 346.70 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 171675284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).