2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C14H13N7 — CID 166831895

IUPAC2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc2nc(CCc3nc4ncccn4n3)nn2c1
InChIInChI=1S/C14H13N7/c1-10-3-6-13-16-11(19-21(13)9-10)4-5-12-17-14-15-7-2-8-20(14)18-12/h2-3,6-9H,4-5H2,1H3
InChIKeyWXQQWGHJGHUJMI-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.26
Rot. Bonds3

About 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 166831895) has the molecular formula C14H13N7 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID166831895
Molecular FormulaC14H13N7
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc2nc(CCc3nc4ncccn4n3)nn2c1
InChIInChI=1S/C14H13N7/c1-10-3-6-13-16-11(19-21(13)9-10)4-5-12-17-14-15-7-2-8-20(14)18-12/h2-3,6-9H,4-5H2,1H3
InChIKeyWXQQWGHJGHUJMI-UHFFFAOYSA-N
XLogP1.26
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 166831895) is 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc2nc(CCc3nc4ncccn4n3)nn2c1.
What is the InChIKey of 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WXQQWGHJGHUJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7/c1-10-3-6-13-16-11(19-21(13)9-10)4-5-12-17-14-15-7-2-8-20(14)18-12/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 279.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166831895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).