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

C14H18F3N5 — CID 25177979

IUPAC6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N[C@@H](C)C(F)(F)F)c1C1CCCC1
InChIInChI=1S/C14H18F3N5/c1-8-11(10-5-3-4-6-10)12(21-9(2)14(15,16)17)22-13(20-8)18-7-19-22/h7,9-10,21H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyWRXIHVDUFRBKPN-VIFPVBQESA-N
MW313.33 g/mol
LogP3.45
Rot. Bonds3

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

6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 25177979) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID25177979
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(N[C@@H](C)C(F)(F)F)c1C1CCCC1
InChIInChI=1S/C14H18F3N5/c1-8-11(10-5-3-4-6-10)12(21-9(2)14(15,16)17)22-13(20-8)18-7-19-22/h7,9-10,21H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyWRXIHVDUFRBKPN-VIFPVBQESA-N
XLogP3.45
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 25177979) is 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(N[C@@H](C)C(F)(F)F)c1C1CCCC1.
What is the InChIKey of 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WRXIHVDUFRBKPN-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3N5/c1-8-11(10-5-3-4-6-10)12(21-9(2)14(15,16)17)22-13(20-8)18-7-19-22/h7,9-10,21H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 313.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-5-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 25177979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).