1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile

C9H6BrN5 — CID 84807277

IUPAC1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nc3ncc(Br)cn3n2)CC1
InChIInChI=1S/C9H6BrN5/c10-6-3-12-8-13-7(14-15(8)4-6)9(5-11)1-2-9/h3-4H,1-2H2
InChIKeyASPGXFVZVWCQJG-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.44
Rot. Bonds1

About 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile

1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile (PubChem CID 84807277) has the molecular formula C9H6BrN5 and a molecular weight of 264.09 g/mol. Its IUPAC name is 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
PubChem CID84807277
Molecular FormulaC9H6BrN5
Molecular Weight264.09 g/mol
Exact Mass262.98
IUPAC Name1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nc3ncc(Br)cn3n2)CC1
InChIInChI=1S/C9H6BrN5/c10-6-3-12-8-13-7(14-15(8)4-6)9(5-11)1-2-9/h3-4H,1-2H2
InChIKeyASPGXFVZVWCQJG-UHFFFAOYSA-N
XLogP1.44
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile (CID 84807277) is 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile is N#CC1(c2nc3ncc(Br)cn3n2)CC1.
What is the InChIKey of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is ASPGXFVZVWCQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN5/c10-6-3-12-8-13-7(14-15(8)4-6)9(5-11)1-2-9/h3-4H,1-2H2.
What are the key properties of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile?
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 264.09 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84807277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).