5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine

C14H8ClF6N5 — CID 149159512

IUPAC5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2cnnn12)C(F)(F)F
InChIInChI=1S/C14H8ClF6N5/c1-5(14(19,20)21)23-13-11(10-7(17)2-6(16)3-8(10)18)12(15)24-9-4-22-25-26(9)13/h2-5,23H,1H3
InChIKeyDTKPLHNBHJKYFM-UHFFFAOYSA-N
MW395.69 g/mol
LogP4.22
Rot. Bonds3

About 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 149159512) has the molecular formula C14H8ClF6N5 and a molecular weight of 395.69 g/mol. Its IUPAC name is 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
PubChem CID149159512
Molecular FormulaC14H8ClF6N5
Molecular Weight395.69 g/mol
Exact Mass395.04
IUPAC Name5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2cnnn12)C(F)(F)F
InChIInChI=1S/C14H8ClF6N5/c1-5(14(19,20)21)23-13-11(10-7(17)2-6(16)3-8(10)18)12(15)24-9-4-22-25-26(9)13/h2-5,23H,1H3
InChIKeyDTKPLHNBHJKYFM-UHFFFAOYSA-N
XLogP4.22
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.69
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-hydrazinyl-5-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
CID 73002031
5-chloro-3-methyl-N-propan-2-yl-6-(2,4,6-trifluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 89343246
5-chloro-6-[2,6-difluoro-4-[1-(methylamino)ethoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 89203292
3-[4-[5-chloro-7-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3,5-difluorophenoxy]propan-1-ol
CID 11430883
6-chloro-2-pyrazin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11281927
6-chloro-2-N-(propan-2-ylideneamino)-5-(2,4,6-trifluorophenyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-2,4-diamine
CID 86606161
3-[4-[5-chloro-7-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3,5-difluoroanilino]propyl-trimethylazanium
CID 87676778
6-chloro-2-(2-phenylhydrazinyl)-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 59833601
7-chloro-N-propan-2-yl-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidin-5-amine
CID 87887705
5-chloro-6-[4-[3-(ethylamino)propoxy]-2,6-difluorophenyl]-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72963288
6-[4-[5-chloro-7-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-3,5-difluorophenoxy]hexan-2-one
CID 159153257
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11293409

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine (CID 149159512) is 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine is CC(Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2cnnn12)C(F)(F)F.
What is the InChIKey of 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DTKPLHNBHJKYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF6N5/c1-5(14(19,20)21)23-13-11(10-7(17)2-6(16)3-8(10)18)12(15)24-9-4-22-25-26(9)13/h2-5,23H,1H3.
What are the key properties of 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 395.69 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,4,6-trifluorophenyl)-N-(1,1,1-trifluoropropan-2-yl)triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 149159512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).