N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H19N5 — CID 79840007

IUPACN-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC2(C)C)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-9-7-11(18-12(16-9)14-8-15-18)17-10-5-4-6-13(10,2)3/h7-8,10,17H,4-6H2,1-3H3
InChIKeyBWKGQOGPODFNEF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.42
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 79840007) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID79840007
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCCC2(C)C)n2ncnc2n1
InChIInChI=1S/C13H19N5/c1-9-7-11(18-12(16-9)14-8-15-18)17-10-5-4-6-13(10,2)3/h7-8,10,17H,4-6H2,1-3H3
InChIKeyBWKGQOGPODFNEF-UHFFFAOYSA-N
XLogP2.42
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 79840007) is N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCCC2(C)C)n2ncnc2n1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BWKGQOGPODFNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9-7-11(18-12(16-9)14-8-15-18)17-10-5-4-6-13(10,2)3/h7-8,10,17H,4-6H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 245.33 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 79840007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).