2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine

C13H14N6 — CID 70764923

IUPAC2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine
SMILESCn1ncnc1CCn1ccnc1-c1ccccn1
InChIInChI=1S/C13H14N6/c1-18-12(16-10-17-18)5-8-19-9-7-15-13(19)11-4-2-3-6-14-11/h2-4,6-7,9-10H,5,8H2,1H3
InChIKeyXEGZBGQTVDKTNU-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.32
Rot. Bonds4

About 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine

2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine (PubChem CID 70764923) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine
PubChem CID70764923
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine
SMILESCn1ncnc1CCn1ccnc1-c1ccccn1
InChIInChI=1S/C13H14N6/c1-18-12(16-10-17-18)5-8-19-9-7-15-13(19)11-4-2-3-6-14-11/h2-4,6-7,9-10H,5,8H2,1H3
InChIKeyXEGZBGQTVDKTNU-UHFFFAOYSA-N
XLogP1.32
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine?
The IUPAC name of 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine (CID 70764923) is 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine?
The canonical SMILES for 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine is Cn1ncnc1CCn1ccnc1-c1ccccn1.
What is the InChIKey of 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine?
The InChIKey is XEGZBGQTVDKTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-18-12(16-10-17-18)5-8-19-9-7-15-13(19)11-4-2-3-6-14-11/h2-4,6-7,9-10H,5,8H2,1H3.
What are the key properties of 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine?
2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine has a molecular weight of 254.30 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-yl]pyridine is sourced from PubChem (CID 70764923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).