6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H15ClF7N5 — CID 58128393

IUPAC6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CCC(C(F)(C(F)(F)F)C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C15H15ClF7N5/c1-7-10(16)11(28-12(26-7)24-6-25-28)27-9-4-2-8(3-5-9)13(17,14(18,19)20)15(21,22)23/h6,8-9,27H,2-5H2,1H3
InChIKeyUJIZAQTVTUCFLM-UHFFFAOYSA-N
MW433.76 g/mol
LogP4.89
Rot. Bonds3

About 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58128393) has the molecular formula C15H15ClF7N5 and a molecular weight of 433.76 g/mol. Its IUPAC name is 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID58128393
Molecular FormulaC15H15ClF7N5
Molecular Weight433.76 g/mol
Exact Mass433.09
IUPAC Name6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc2ncnn2c(NC2CCC(C(F)(C(F)(F)F)C(F)(F)F)CC2)c1Cl
InChIInChI=1S/C15H15ClF7N5/c1-7-10(16)11(28-12(26-7)24-6-25-28)27-9-4-2-8(3-5-9)13(17,14(18,19)20)15(21,22)23/h6,8-9,27H,2-5H2,1H3
InChIKeyUJIZAQTVTUCFLM-UHFFFAOYSA-N
XLogP4.89
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.76
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 58128393) is 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc2ncnn2c(NC2CCC(C(F)(C(F)(F)F)C(F)(F)F)CC2)c1Cl.
What is the InChIKey of 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UJIZAQTVTUCFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF7N5/c1-7-10(16)11(28-12(26-7)24-6-25-28)27-9-4-2-8(3-5-9)13(17,14(18,19)20)15(21,22)23/h6,8-9,27H,2-5H2,1H3.
What are the key properties of 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 433.76 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclohexyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58128393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).