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

C13H15ClF3N5 — CID 87798189

IUPAC5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](Nc1c(C2CCCC2)c(Cl)nc2ncnn12)C(F)(F)F
InChIInChI=1S/C13H15ClF3N5/c1-7(13(15,16)17)20-11-9(8-4-2-3-5-8)10(14)21-12-18-6-19-22(11)12/h6-8,20H,2-5H2,1H3/t7-/m0/s1
InChIKeyVGRJNUSVEJBUQC-ZETCQYMHSA-N
MW333.75 g/mol
LogP3.80
Rot. Bonds3

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

5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87798189) has the molecular formula C13H15ClF3N5 and a molecular weight of 333.75 g/mol. Its IUPAC name is 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87798189
Molecular FormulaC13H15ClF3N5
Molecular Weight333.75 g/mol
Exact Mass333.10
IUPAC Name5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESC[C@H](Nc1c(C2CCCC2)c(Cl)nc2ncnn12)C(F)(F)F
InChIInChI=1S/C13H15ClF3N5/c1-7(13(15,16)17)20-11-9(8-4-2-3-5-8)10(14)21-12-18-6-19-22(11)12/h6-8,20H,2-5H2,1H3/t7-/m0/s1
InChIKeyVGRJNUSVEJBUQC-ZETCQYMHSA-N
XLogP3.80
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87798189) is 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is C[C@H](Nc1c(C2CCCC2)c(Cl)nc2ncnn12)C(F)(F)F.
What is the InChIKey of 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VGRJNUSVEJBUQC-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H15ClF3N5/c1-7(13(15,16)17)20-11-9(8-4-2-3-5-8)10(14)21-12-18-6-19-22(11)12/h6-8,20H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 333.75 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclopentyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87798189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).