ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate

C11H9ClN6O2 — CID 102919264

IUPACethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C11H9ClN6O2/c1-2-20-10(19)7-4-14-17(5-7)9-3-8(12)16-11-13-6-15-18(9)11/h3-6H,2H2,1H3
InChIKeyAIGQUZMEZRHRSS-UHFFFAOYSA-N
MW292.69 g/mol
LogP1.14
Rot. Bonds3

About ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate

ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate (PubChem CID 102919264) has the molecular formula C11H9ClN6O2 and a molecular weight of 292.69 g/mol. Its IUPAC name is ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
PubChem CID102919264
Molecular FormulaC11H9ClN6O2
Molecular Weight292.69 g/mol
Exact Mass292.05
IUPAC Nameethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C11H9ClN6O2/c1-2-20-10(19)7-4-14-17(5-7)9-3-8(12)16-11-13-6-15-18(9)11/h3-6H,2H2,1H3
InChIKeyAIGQUZMEZRHRSS-UHFFFAOYSA-N
XLogP1.14
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide
CID 102919262
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
ethyl 4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 59014091
ethyl 1-(4-amino-6-chloro-2-pyridinyl)pyrazole-4-carboxylate
CID 114070657
ethyl 1-(6-amino-5-chloropyrimidin-4-yl)pyrazole-4-carboxylate
CID 114049975
ethyl 1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carboxylate
CID 81498331
ethyl 1-(2-chloropyrimidin-4-yl)pyrazole-4-carboxylate
CID 81497796
5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919256
6-chloro-2-(4-ethoxycarbonylpyrazol-1-yl)pyridine-3-carboxylic acid
CID 81497583
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
ethyl 1-(4-amino-5-chloro-2-methylphenyl)pyrazole-4-carboxylate
CID 115555196
ethyl 1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)pyrazole-4-carboxylate
CID 81495243

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate (CID 102919264) is ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(Cl)nc3ncnn23)c1.
What is the InChIKey of ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
The InChIKey is AIGQUZMEZRHRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O2/c1-2-20-10(19)7-4-14-17(5-7)9-3-8(12)16-11-13-6-15-18(9)11/h3-6H,2H2,1H3.
What are the key properties of ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate?
ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate has a molecular weight of 292.69 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 102919264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).