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

C13H19ClN6 — CID 106194022

IUPACN-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCN2CCCCCC2)n2ncnc2n1
InChIInChI=1S/C13H19ClN6/c14-11-9-12(20-13(18-11)16-10-17-20)15-5-8-19-6-3-1-2-4-7-19/h9-10,15H,1-8H2
InChIKeyPSKXZEGLPMAVAE-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.07
Rot. Bonds4

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

N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 106194022) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID106194022
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC NameN-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCN2CCCCCC2)n2ncnc2n1
InChIInChI=1S/C13H19ClN6/c14-11-9-12(20-13(18-11)16-10-17-20)15-5-8-19-6-3-1-2-4-7-19/h9-10,15H,1-8H2
InChIKeyPSKXZEGLPMAVAE-UHFFFAOYSA-N
XLogP2.07
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102919122
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918153
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
5-chloro-N-(2-phenoxyethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918665
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-(3-imidazol-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918251
5-chloro-N-(3-phenoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918753
[1-[[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopropyl]methanol
CID 102919048
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114186751
5-methyl-N-[2-(4-propylsulfonylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 91956603

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 106194022) is N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NCCN2CCCCCC2)n2ncnc2n1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PSKXZEGLPMAVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c14-11-9-12(20-13(18-11)16-10-17-20)15-5-8-19-6-3-1-2-4-7-19/h9-10,15H,1-8H2.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.79 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 106194022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).