3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

C11H13F3N6 — CID 139296016

IUPAC3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2C1CCCCC1
InChIInChI=1S/C11H13F3N6/c12-11(13,14)10-16-8(15)7-9(17-10)20(19-18-7)6-4-2-1-3-5-6/h6H,1-5H2,(H2,15,16,17)
InChIKeyMLLXHVCSZQKRFQ-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.33
Rot. Bonds1

About 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine

3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 139296016) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
PubChem CID139296016
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
SMILESNc1nc(C(F)(F)F)nc2c1nnn2C1CCCCC1
InChIInChI=1S/C11H13F3N6/c12-11(13,14)10-16-8(15)7-9(17-10)20(19-18-7)6-4-2-1-3-5-6/h6H,1-5H2,(H2,15,16,17)
InChIKeyMLLXHVCSZQKRFQ-UHFFFAOYSA-N
XLogP2.33
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-Cyclohexyl-9H-purin-6-amine
CID 95121
3-[(1S)-1-cyclohexylethyl]-5-cyclopropyltriazolo[4,5-d]pyrimidin-7-amine
CID 70684672
3-(Oxan-2-ylmethyl)-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 70693098
3-methyl-7-piperidin-1-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CID 7424081
n,3-Diethyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 237113
n,n-Diethyl-3-methyl-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 237112
N-butyl-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7424115
N-cyclohexyl-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7192836
3-ethyl-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584297
N-cyclohexyl-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7584402
N-cyclododecyl-3-ethyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 7584411
3-cyclohexyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-amine
CID 90792997

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine (CID 139296016) is 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is Nc1nc(C(F)(F)F)nc2c1nnn2C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is MLLXHVCSZQKRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c12-11(13,14)10-16-8(15)7-9(17-10)20(19-18-7)6-4-2-1-3-5-6/h6H,1-5H2,(H2,15,16,17).
What are the key properties of 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine?
3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 286.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(trifluoromethyl)triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 139296016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).