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

C10H7ClN4 — CID 116990151

IUPAC1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C10H7ClN4/c11-7-1-2-8-13-9(14-15(8)5-7)10(6-12)3-4-10/h1-2,5H,3-4H2
InChIKeyRCSVNYJWJOYNJE-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.94
Rot. Bonds1

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

1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile (PubChem CID 116990151) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile
PubChem CID116990151
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C10H7ClN4/c11-7-1-2-8-13-9(14-15(8)5-7)10(6-12)3-4-10/h1-2,5H,3-4H2
InChIKeyRCSVNYJWJOYNJE-UHFFFAOYSA-N
XLogP1.94
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile (CID 116990151) is 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile is N#CC1(c2nc3ccc(Cl)cn3n2)CC1.
What is the InChIKey of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is RCSVNYJWJOYNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4/c11-7-1-2-8-13-9(14-15(8)5-7)10(6-12)3-4-10/h1-2,5H,3-4H2.
What are the key properties of 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile?
1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 218.65 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116990151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).