5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H10ClN5 — CID 102918736

IUPAC5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(N2Cc3ccccc3C2)n2ncnc2n1
InChIInChI=1S/C13H10ClN5/c14-11-5-12(19-13(17-11)15-8-16-19)18-6-9-3-1-2-4-10(9)7-18/h1-5,8H,6-7H2
InChIKeyMACKKCBJGBIUAY-UHFFFAOYSA-N
MW271.71 g/mol
LogP2.30
Rot. Bonds1

About 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102918736) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102918736
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(N2Cc3ccccc3C2)n2ncnc2n1
InChIInChI=1S/C13H10ClN5/c14-11-5-12(19-13(17-11)15-8-16-19)18-6-9-3-1-2-4-10(9)7-18/h1-5,8H,6-7H2
InChIKeyMACKKCBJGBIUAY-UHFFFAOYSA-N
XLogP2.30
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
5-chloro-7-(2-methyl-2,3-dihydroindol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918247
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
5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919256
5-chloro-7-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918816
5-chloro-7-(4-methylazepan-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918844
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-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpiperidin-3-ol
CID 102919198
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 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102918736) is 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(N2Cc3ccccc3C2)n2ncnc2n1.
What is the InChIKey of 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MACKKCBJGBIUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-11-5-12(19-13(17-11)15-8-16-19)18-6-9-3-1-2-4-10(9)7-18/h1-5,8H,6-7H2.
What are the key properties of 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 271.71 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102918736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).