1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile

C10H6F3N5 — CID 84804408

IUPAC1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C10H6F3N5/c11-10(12,13)7-16-8-15-3-6(4-18(8)17-7)9(5-14)1-2-9/h3-4H,1-2H2
InChIKeyANTTXFDORPCQKI-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.70
Rot. Bonds1

About 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile

1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile (PubChem CID 84804408) has the molecular formula C10H6F3N5 and a molecular weight of 253.19 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
PubChem CID84804408
Molecular FormulaC10H6F3N5
Molecular Weight253.19 g/mol
Exact Mass253.06
IUPAC Name1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1
InChIInChI=1S/C10H6F3N5/c11-10(12,13)7-16-8-15-3-6(4-18(8)17-7)9(5-14)1-2-9/h3-4H,1-2H2
InChIKeyANTTXFDORPCQKI-UHFFFAOYSA-N
XLogP1.70
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(trifluoromethyl)-6-(3,5,5-trimethylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 142791630
6-(2-Azaspiro[3.3]heptan-6-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 170784833
1-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropan-1-amine
CID 84728227
3-[6-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-amine
CID 84728421
2-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile
CID 84800793
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-amine
CID 84801952
1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropan-1-ol
CID 84802568
3-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propan-1-amine
CID 84802831
1-[2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile
CID 84804239
2-Methyl-2-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanenitrile
CID 84804900
6-Pyrrolidin-3-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84805519
[1-[2-(Trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropyl]methanamine
CID 84805520

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile (CID 84804408) is 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile is N#CC1(c2cnc3nc(C(F)(F)F)nn3c2)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
The InChIKey is ANTTXFDORPCQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5/c11-10(12,13)7-16-8-15-3-6(4-18(8)17-7)9(5-14)1-2-9/h3-4H,1-2H2.
What are the key properties of 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile?
1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile has a molecular weight of 253.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 84804408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).