5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C12H15F3N6 — CID 167811336

IUPAC5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(c1nncn1C)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C12H15F3N6/c1-7(11-19-16-6-20(11)2)21-4-3-9-8(5-21)10(18-17-9)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyPVPMGTJIDGCKPR-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.68
Rot. Bonds2

About 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 167811336) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID167811336
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCC(c1nncn1C)N1CCc2[nH]nc(C(F)(F)F)c2C1
InChIInChI=1S/C12H15F3N6/c1-7(11-19-16-6-20(11)2)21-4-3-9-8(5-21)10(18-17-9)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyPVPMGTJIDGCKPR-UHFFFAOYSA-N
XLogP1.68
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 167811336) is 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CC(c1nncn1C)N1CCc2[nH]nc(C(F)(F)F)c2C1.
What is the InChIKey of 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is PVPMGTJIDGCKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c1-7(11-19-16-6-20(11)2)21-4-3-9-8(5-21)10(18-17-9)12(13,14)15/h6-7H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 300.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 167811336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).