7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

C11H14ClN5 — CID 102918340

IUPAC7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCCCCC2)n2ncnc2n1
InChIInChI=1S/C11H14ClN5/c12-9-7-10(16-5-3-1-2-4-6-16)17-11(15-9)13-8-14-17/h7-8H,1-6H2
InChIKeyMNWFNQGESWGANS-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.16
Rot. Bonds1

About 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102918340) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102918340
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(N2CCCCCC2)n2ncnc2n1
InChIInChI=1S/C11H14ClN5/c12-9-7-10(16-5-3-1-2-4-6-16)17-11(15-9)13-8-14-17/h7-8H,1-6H2
InChIKeyMNWFNQGESWGANS-UHFFFAOYSA-N
XLogP2.16
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
CID 102919198
7-(3-tert-butylpyrrolidin-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919125
[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methanol
CID 102919086
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
5-chloro-7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918902
7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115039333
N-[[1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]acetamide
CID 102919228
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpyrrolidine-3-carboxamide
CID 114082399

Frequently Asked Questions

What is the IUPAC name of 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102918340) is 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(N2CCCCCC2)n2ncnc2n1.
What is the InChIKey of 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MNWFNQGESWGANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c12-9-7-10(16-5-3-1-2-4-6-16)17-11(15-9)13-8-14-17/h7-8H,1-6H2.
What are the key properties of 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 251.72 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102918340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).