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

C14H9ClN6 — CID 102919256

IUPAC5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(-n2cc(-c3ccccc3)cn2)n2ncnc2n1
InChIInChI=1S/C14H9ClN6/c15-12-6-13(21-14(19-12)16-9-18-21)20-8-11(7-17-20)10-4-2-1-3-5-10/h1-9H
InChIKeyNRNYWUMEAYUWRL-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.63
Rot. Bonds2

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

5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102919256) has the molecular formula C14H9ClN6 and a molecular weight of 296.72 g/mol. Its IUPAC name is 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102919256
Molecular FormulaC14H9ClN6
Molecular Weight296.72 g/mol
Exact Mass296.06
IUPAC Name5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(-n2cc(-c3ccccc3)cn2)n2ncnc2n1
InChIInChI=1S/C14H9ClN6/c15-12-6-13(21-14(19-12)16-9-18-21)20-8-11(7-17-20)10-4-2-1-3-5-10/h1-9H
InChIKeyNRNYWUMEAYUWRL-UHFFFAOYSA-N
XLogP2.63
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide
CID 102919262
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 102919264
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
4-chloro-6-(4-phenylpyrazol-1-yl)-2-propylpyrimidine
CID 80939783
3-chloro-6-(4-phenylpyrazol-1-yl)pyridazine
CID 55113247
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 102919261
2-chloro-5-methyl-4-(4-phenylpyrazol-1-yl)pyrimidine
CID 79073316
5-bromo-3-(chloromethyl)-2-(4-phenylpyrazol-1-yl)pyridine
CID 62772214
5-chloro-7-(2,4-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102919199
4-(4-chlorophenyl)-1-phenylpyrazole
CID 4152296

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102919256) is 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(-n2cc(-c3ccccc3)cn2)n2ncnc2n1.
What is the InChIKey of 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NRNYWUMEAYUWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN6/c15-12-6-13(21-14(19-12)16-9-18-21)20-8-11(7-17-20)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 296.72 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(4-phenylpyrazol-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102919256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).