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

C11H14ClFN4 — CID 123666855

IUPAC7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCC(C)(F)c1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C11H14ClFN4/c1-4-5-11(3,13)9-15-10-14-7(2)6-8(12)17(10)16-9/h6H,4-5H2,1-3H3
InChIKeyVWMRZXDTXUJUFW-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.07
Rot. Bonds3

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

7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 123666855) has the molecular formula C11H14ClFN4 and a molecular weight of 256.71 g/mol. Its IUPAC name is 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID123666855
Molecular FormulaC11H14ClFN4
Molecular Weight256.71 g/mol
Exact Mass256.09
IUPAC Name7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCC(C)(F)c1nc2nc(C)cc(Cl)n2n1
InChIInChI=1S/C11H14ClFN4/c1-4-5-11(3,13)9-15-10-14-7(2)6-8(12)17(10)16-9/h6H,4-5H2,1-3H3
InChIKeyVWMRZXDTXUJUFW-UHFFFAOYSA-N
XLogP3.07
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 123666855) is 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCC(C)(F)c1nc2nc(C)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is VWMRZXDTXUJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN4/c1-4-5-11(3,13)9-15-10-14-7(2)6-8(12)17(10)16-9/h6H,4-5H2,1-3H3.
What are the key properties of 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 256.71 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-fluoropentan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123666855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).