5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine

C12H15ClN4 — CID 81441691

IUPAC5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cncc2nnc(C3CCCCCC3)n12
InChIInChI=1S/C12H15ClN4/c13-10-7-14-8-11-15-16-12(17(10)11)9-5-3-1-2-4-6-9/h7-9H,1-6H2
InChIKeyKKLLMHMJOGEMGI-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.22
Rot. Bonds1

About 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine

5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 81441691) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID81441691
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine
SMILESClc1cncc2nnc(C3CCCCCC3)n12
InChIInChI=1S/C12H15ClN4/c13-10-7-14-8-11-15-16-12(17(10)11)9-5-3-1-2-4-6-9/h7-9H,1-6H2
InChIKeyKKLLMHMJOGEMGI-UHFFFAOYSA-N
XLogP3.22
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine (CID 81441691) is 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine is Clc1cncc2nnc(C3CCCCCC3)n12.
What is the InChIKey of 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KKLLMHMJOGEMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-10-7-14-8-11-15-16-12(17(10)11)9-5-3-1-2-4-6-9/h7-9H,1-6H2.
What are the key properties of 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine?
5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 250.73 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cycloheptyl-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 81441691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).