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

C11H13ClF3N5 — CID 87798075

IUPAC5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1c(Cl)nc2ncnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C11H13ClF3N5/c1-5(2)7-8(12)19-10-16-4-17-20(10)9(7)18-6(3)11(13,14)15/h4-6,18H,1-3H3
InChIKeyAPPPHWNNJJATQJ-UHFFFAOYSA-N
MW307.71 g/mol
LogP3.26
Rot. Bonds3

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

5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87798075) has the molecular formula C11H13ClF3N5 and a molecular weight of 307.71 g/mol. Its IUPAC name is 5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87798075
Molecular FormulaC11H13ClF3N5
Molecular Weight307.71 g/mol
Exact Mass307.08
IUPAC Name5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)c1c(Cl)nc2ncnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C11H13ClF3N5/c1-5(2)7-8(12)19-10-16-4-17-20(10)9(7)18-6(3)11(13,14)15/h4-6,18H,1-3H3
InChIKeyAPPPHWNNJJATQJ-UHFFFAOYSA-N
XLogP3.26
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87798075) is 5-chloro-6-propan-2-yl-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-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)c1c(Cl)nc2ncnn2c1NC(C)C(F)(F)F.
What is the InChIKey of 5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is APPPHWNNJJATQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N5/c1-5(2)7-8(12)19-10-16-4-17-20(10)9(7)18-6(3)11(13,14)15/h4-6,18H,1-3H3.
What are the key properties of 5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 307.71 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-yl-N-(1,1,1-trifluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87798075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).