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

C12H16ClN5 — CID 102918495

IUPAC5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCC2CCCC2)n2ncnc2n1
InChIInChI=1S/C12H16ClN5/c13-10-7-11(18-12(17-10)15-8-16-18)14-6-5-9-3-1-2-4-9/h7-9,14H,1-6H2
InChIKeyKFSDQRSNAUBNOO-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.77
Rot. Bonds4

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

5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918495) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918495
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCC2CCCC2)n2ncnc2n1
InChIInChI=1S/C12H16ClN5/c13-10-7-11(18-12(17-10)15-8-16-18)14-6-5-9-3-1-2-4-9/h7-9,14H,1-6H2
InChIKeyKFSDQRSNAUBNOO-UHFFFAOYSA-N
XLogP2.77
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918495) is 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NCCC2CCCC2)n2ncnc2n1.
What is the InChIKey of 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is KFSDQRSNAUBNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c13-10-7-11(18-12(17-10)15-8-16-18)14-6-5-9-3-1-2-4-9/h7-9,14H,1-6H2.
What are the key properties of 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 265.75 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).