8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C10H11F3N6 — CID 102792208

IUPAC8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C2NCCn3c2nnc3C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N6/c1-18-5-6(4-15-18)7-8-16-17-9(10(11,12)13)19(8)3-2-14-7/h4-5,7,14H,2-3H2,1H3
InChIKeyPHUPDNOAVZJJCD-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.72
Rot. Bonds1

About 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 102792208) has the molecular formula C10H11F3N6 and a molecular weight of 272.23 g/mol. Its IUPAC name is 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID102792208
Molecular FormulaC10H11F3N6
Molecular Weight272.23 g/mol
Exact Mass272.10
IUPAC Name8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cc(C2NCCn3c2nnc3C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N6/c1-18-5-6(4-15-18)7-8-16-17-9(10(11,12)13)19(8)3-2-14-7/h4-5,7,14H,2-3H2,1H3
InChIKeyPHUPDNOAVZJJCD-UHFFFAOYSA-N
XLogP0.72
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 102792208) is 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cc(C2NCCn3c2nnc3C(F)(F)F)cn1.
What is the InChIKey of 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PHUPDNOAVZJJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6/c1-18-5-6(4-15-18)7-8-16-17-9(10(11,12)13)19(8)3-2-14-7/h4-5,7,14H,2-3H2,1H3.
What are the key properties of 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 272.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 102792208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).