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

C14H17ClF3N5 — CID 87798705

IUPAC5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1c(C2CCCCC2)c(Cl)nc2ncnn12)C(F)(F)F
InChIInChI=1S/C14H17ClF3N5/c1-8(14(16,17)18)21-12-10(9-5-3-2-4-6-9)11(15)22-13-19-7-20-23(12)13/h7-9,21H,2-6H2,1H3
InChIKeyUGACKSLZVXFWKC-UHFFFAOYSA-N
MW347.77 g/mol
LogP4.19
Rot. Bonds3

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

5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87798705) has the molecular formula C14H17ClF3N5 and a molecular weight of 347.77 g/mol. Its IUPAC name is 5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87798705
Molecular FormulaC14H17ClF3N5
Molecular Weight347.77 g/mol
Exact Mass347.11
IUPAC Name5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(Nc1c(C2CCCCC2)c(Cl)nc2ncnn12)C(F)(F)F
InChIInChI=1S/C14H17ClF3N5/c1-8(14(16,17)18)21-12-10(9-5-3-2-4-6-9)11(15)22-13-19-7-20-23(12)13/h7-9,21H,2-6H2,1H3
InChIKeyUGACKSLZVXFWKC-UHFFFAOYSA-N
XLogP4.19
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87798705) is 5-chloro-6-cyclohexyl-N-(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-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(Nc1c(C2CCCCC2)c(Cl)nc2ncnn12)C(F)(F)F.
What is the InChIKey of 5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UGACKSLZVXFWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5/c1-8(14(16,17)18)21-12-10(9-5-3-2-4-6-9)11(15)22-13-19-7-20-23(12)13/h7-9,21H,2-6H2,1H3.
What are the key properties of 5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 347.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-cyclohexyl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87798705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).