trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine

C14H19F3N6 — CID 95636460

IUPACtrans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine
SMILESCc1cc(N[C@H]2CCC[C@@H]2N(C)C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H19F3N6/c1-8-7-11(19-9-5-4-6-10(9)22(2)3)23-13(18-8)20-12(21-23)14(15,16)17/h7,9-10,19H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyOHCARLVRIMDERD-UWVGGRQHSA-N
MW328.34 g/mol
LogP2.35
Rot. Bonds3

About trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine

trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine (PubChem CID 95636460) has the molecular formula C14H19F3N6 and a molecular weight of 328.34 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine
PubChem CID95636460
Molecular FormulaC14H19F3N6
Molecular Weight328.34 g/mol
Exact Mass328.16
IUPAC Nametrans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine
SMILESCc1cc(N[C@H]2CCC[C@@H]2N(C)C)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C14H19F3N6/c1-8-7-11(19-9-5-4-6-10(9)22(2)3)23-13(18-8)20-12(21-23)14(15,16)17/h7,9-10,19H,4-6H2,1-3H3/t9-,10-/m0/s1
InChIKeyOHCARLVRIMDERD-UWVGGRQHSA-N
XLogP2.35
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dimethylcyclohexyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154837373
N-(1-cyclopentylpyrrolidin-3-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133292233
(3S)-3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]piperidin-2-one
CID 97209299
1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366729
5-methyl-N-[1-(oxan-4-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133366229
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133357128
5-methyl-N-[(1-propylcyclopropyl)methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133380513
7-cyclohexylsulfanyl-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 78857899
N-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 4909257
5-methyl-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133332136
N-[[3-(dimethylamino)phenyl]methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133279688
5-methyl-N-[(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 97340074

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine (CID 95636460) is trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine is Cc1cc(N[C@H]2CCC[C@@H]2N(C)C)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine?
The InChIKey is OHCARLVRIMDERD-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19F3N6/c1-8-7-11(19-9-5-4-6-10(9)22(2)3)23-13(18-8)20-12(21-23)14(15,16)17/h7,9-10,19H,4-6H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine?
trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine has a molecular weight of 328.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,1-N-dimethyl-2-N-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,2-diamine is sourced from PubChem (CID 95636460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).