[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine

C10H8F3N7 — CID 104733756

IUPAC[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2nccn3nc(C(F)(F)F)cc23)n1
InChIInChI=1S/C10H8F3N7/c11-10(12,13)7-3-6-9(15-1-2-19(6)17-7)20-5-16-8(4-14)18-20/h1-3,5H,4,14H2
InChIKeyUBPMFWNUYGXXSF-UHFFFAOYSA-N
MW283.22 g/mol
LogP0.79
Rot. Bonds2

About [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine

[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 104733756) has the molecular formula C10H8F3N7 and a molecular weight of 283.22 g/mol. Its IUPAC name is [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine
PubChem CID104733756
Molecular FormulaC10H8F3N7
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine
SMILESNCc1ncn(-c2nccn3nc(C(F)(F)F)cc23)n1
InChIInChI=1S/C10H8F3N7/c11-10(12,13)7-3-6-9(15-1-2-19(6)17-7)20-5-16-8(4-14)18-20/h1-3,5H,4,14H2
InChIKeyUBPMFWNUYGXXSF-UHFFFAOYSA-N
XLogP0.79
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine
CID 104733191
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732969
3-amino-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propan-1-ol
CID 104733799
(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
CID 104892889
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732974
2-methyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,3-diamine
CID 104734259
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
CID 102787102
N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
CID 104732778
4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732607
6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
CID 139019410
4-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pentane-2,4-diamine
CID 104734344

Frequently Asked Questions

What is the IUPAC name of [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine (CID 104733756) is [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine is NCc1ncn(-c2nccn3nc(C(F)(F)F)cc23)n1.
What is the InChIKey of [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is UBPMFWNUYGXXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N7/c11-10(12,13)7-3-6-9(15-1-2-19(6)17-7)20-5-16-8(4-14)18-20/h1-3,5H,4,14H2.
What are the key properties of [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine?
[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 283.22 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 104733756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).