5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H18ClN5 — CID 103076296

IUPAC5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCCC1CCCC1
InChIInChI=1S/C13H18ClN5/c1-9-11(14)18-13-16-8-17-19(13)12(9)15-7-6-10-4-2-3-5-10/h8,10,15H,2-7H2,1H3
InChIKeyHQHZHCAIJLCMSL-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.08
Rot. Bonds4

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

5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103076296) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103076296
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1c(Cl)nc2ncnn2c1NCCC1CCCC1
InChIInChI=1S/C13H18ClN5/c1-9-11(14)18-13-16-8-17-19(13)12(9)15-7-6-10-4-2-3-5-10/h8,10,15H,2-7H2,1H3
InChIKeyHQHZHCAIJLCMSL-UHFFFAOYSA-N
XLogP3.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.08
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)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103076296) is 5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1c(Cl)nc2ncnn2c1NCCC1CCCC1.
What is the InChIKey of 5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HQHZHCAIJLCMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-9-11(14)18-13-16-8-17-19(13)12(9)15-7-6-10-4-2-3-5-10/h8,10,15H,2-7H2,1H3.
What are the key properties of 5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-cyclopentylethyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.77 g/mol, XLogP of 3.08, 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)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103076296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).