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

C11H11F3N6O — CID 64576442

IUPAC(5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N6O/c1-6-7(4-15-16-6)9(21)19-2-3-20-8(5-19)17-18-10(20)11(12,13)14/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyCQOAFJQKPYLMKZ-UHFFFAOYSA-N
MW300.24 g/mol
LogP0.98
Rot. Bonds1

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

(5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 64576442) has the molecular formula C11H11F3N6O and a molecular weight of 300.24 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID64576442
Molecular FormulaC11H11F3N6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H11F3N6O/c1-6-7(4-15-16-6)9(21)19-2-3-20-8(5-19)17-18-10(20)11(12,13)14/h4H,2-3,5H2,1H3,(H,15,16)
InChIKeyCQOAFJQKPYLMKZ-UHFFFAOYSA-N
XLogP0.98
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 64576442) is (5-methyl-1H-pyrazol-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-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1[nH]ncc1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is CQOAFJQKPYLMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N6O/c1-6-7(4-15-16-6)9(21)19-2-3-20-8(5-19)17-18-10(20)11(12,13)14/h4H,2-3,5H2,1H3,(H,15,16).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 300.24 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 64576442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).