7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine

C8H7ClN4 — CID 63358162

IUPAC7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2ncnn12
InChIInChI=1S/C8H7ClN4/c9-7-3-6(5-1-2-5)12-8-10-4-11-13(7)8/h3-5H,1-2H2
InChIKeyXDIYTSVMOHLANV-UHFFFAOYSA-N
MW194.62 g/mol
LogP1.66
Rot. Bonds1

About 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 63358162) has the molecular formula C8H7ClN4 and a molecular weight of 194.62 g/mol. Its IUPAC name is 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID63358162
Molecular FormulaC8H7ClN4
Molecular Weight194.62 g/mol
Exact Mass194.04
IUPAC Name7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(C2CC2)nc2ncnn12
InChIInChI=1S/C8H7ClN4/c9-7-3-6(5-1-2-5)12-8-10-4-11-13(7)8/h3-5H,1-2H2
InChIKeyXDIYTSVMOHLANV-UHFFFAOYSA-N
XLogP1.66
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 63358162) is 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(C2CC2)nc2ncnn12.
What is the InChIKey of 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is XDIYTSVMOHLANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4/c9-7-3-6(5-1-2-5)12-8-10-4-11-13(7)8/h3-5H,1-2H2.
What are the key properties of 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 194.62 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 63358162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).