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

C8H9ClN4 — CID 16767830

IUPAC7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(Cl)n2ncnc2n1
InChIInChI=1S/C8H9ClN4/c1-5(2)6-3-7(9)13-8(12-6)10-4-11-13/h3-5H,1-2H3
InChIKeyZOHISTHIFGDJGS-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.90
Rot. Bonds1

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

7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 16767830) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID16767830
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCC(C)c1cc(Cl)n2ncnc2n1
InChIInChI=1S/C8H9ClN4/c1-5(2)6-3-7(9)13-8(12-6)10-4-11-13/h3-5H,1-2H3
InChIKeyZOHISTHIFGDJGS-UHFFFAOYSA-N
XLogP1.90
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 16767830) is 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is CC(C)c1cc(Cl)n2ncnc2n1.
What is the InChIKey of 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZOHISTHIFGDJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c1-5(2)6-3-7(9)13-8(12-6)10-4-11-13/h3-5H,1-2H3.
What are the key properties of 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 196.64 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 16767830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).