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

C9H6ClN7O — CID 102919262

IUPAC1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C9H6ClN7O/c10-6-1-7(17-9(15-6)12-4-14-17)16-3-5(2-13-16)8(11)18/h1-4H,(H2,11,18)
InChIKeyGYCMQCZOODVEJJ-UHFFFAOYSA-N
MW263.65 g/mol
LogP0.06
Rot. Bonds2

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

1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide (PubChem CID 102919262) has the molecular formula C9H6ClN7O and a molecular weight of 263.65 g/mol. Its IUPAC name is 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide
PubChem CID102919262
Molecular FormulaC9H6ClN7O
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cc(Cl)nc3ncnn23)c1
InChIInChI=1S/C9H6ClN7O/c10-6-1-7(17-9(15-6)12-4-14-17)16-3-5(2-13-16)8(11)18/h1-4H,(H2,11,18)
InChIKeyGYCMQCZOODVEJJ-UHFFFAOYSA-N
XLogP0.06
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxylate
CID 102919264
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxamide
CID 102918257
1-(2-chloro-4-pyridinyl)pyrazole-4-carboxamide
CID 64781605
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-methylpyrrolidine-3-carboxamide
CID 114082399
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 102919261
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
1-(6-chloro-5-ethylpyrimidin-4-yl)pyrazole-4-carboxamide
CID 64781989
ethyl 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylate
CID 14850356
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80868430
5-chloro-7-(1,3-dihydroisoindol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918736
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]thiophene-2-carboxamide
CID 59014098
1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
CID 64781416

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide (CID 102919262) is 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cc(Cl)nc3ncnn23)c1.
What is the InChIKey of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide?
The InChIKey is GYCMQCZOODVEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN7O/c10-6-1-7(17-9(15-6)12-4-14-17)16-3-5(2-13-16)8(11)18/h1-4H,(H2,11,18).
What are the key properties of 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide?
1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide has a molecular weight of 263.65 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 102919262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).