5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile

C11H6N6 — CID 122540636

IUPAC5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc3ncnn23)cn1
InChIInChI=1S/C11H6N6/c12-4-10-13-5-8(6-14-10)9-2-1-3-11-15-7-16-17(9)11/h1-3,5-7H
InChIKeyQOMVEWRHNWLNQR-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.06
Rot. Bonds1

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

5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile (PubChem CID 122540636) has the molecular formula C11H6N6 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile
PubChem CID122540636
Molecular FormulaC11H6N6
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Name5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1ncc(-c2cccc3ncnn23)cn1
InChIInChI=1S/C11H6N6/c12-4-10-13-5-8(6-14-10)9-2-1-3-11-15-7-16-17(9)11/h1-3,5-7H
InChIKeyQOMVEWRHNWLNQR-UHFFFAOYSA-N
XLogP1.06
TPSA79.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile (CID 122540636) is 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile is N#Cc1ncc(-c2cccc3ncnn23)cn1.
What is the InChIKey of 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile?
The InChIKey is QOMVEWRHNWLNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N6/c12-4-10-13-5-8(6-14-10)9-2-1-3-11-15-7-16-17(9)11/h1-3,5-7H.
What are the key properties of 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile?
5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile has a molecular weight of 222.21 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 122540636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).