5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H20ClN5 — CID 87798377

IUPAC5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1nc2ncnn2c(NC2CCCC2)c1C1CCCC1
InChIInChI=1S/C15H20ClN5/c16-13-12(10-5-1-2-6-10)14(19-11-7-3-4-8-11)21-15(20-13)17-9-18-21/h9-11,19H,1-8H2
InChIKeyNPOBBYCNFGIVFR-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87798377) has the molecular formula C15H20ClN5 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID87798377
Molecular FormulaC15H20ClN5
Molecular Weight305.81 g/mol
Exact Mass305.14
IUPAC Name5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1nc2ncnn2c(NC2CCCC2)c1C1CCCC1
InChIInChI=1S/C15H20ClN5/c16-13-12(10-5-1-2-6-10)14(19-11-7-3-4-8-11)21-15(20-13)17-9-18-21/h9-11,19H,1-8H2
InChIKeyNPOBBYCNFGIVFR-UHFFFAOYSA-N
XLogP3.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 87798377) is 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Clc1nc2ncnn2c(NC2CCCC2)c1C1CCCC1.
What is the InChIKey of 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NPOBBYCNFGIVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5/c16-13-12(10-5-1-2-6-10)14(19-11-7-3-4-8-11)21-15(20-13)17-9-18-21/h9-11,19H,1-8H2.
What are the key properties of 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 305.81 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,6-dicyclopentyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87798377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).