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

C17H14N6 — CID 175938528

IUPAC2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine
SMILESc1ccc(Cn2cc(-c3cccc(-n4ccnc4)c3)nn2)nc1
InChIInChI=1S/C17H14N6/c1-2-7-19-15(5-1)11-23-12-17(20-21-23)14-4-3-6-16(10-14)22-9-8-18-13-22/h1-10,12-13H,11H2
InChIKeyMSEGEDADXQEXJS-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.57
Rot. Bonds4

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

2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine (PubChem CID 175938528) has the molecular formula C17H14N6 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine
PubChem CID175938528
Molecular FormulaC17H14N6
Molecular Weight302.34 g/mol
Exact Mass302.13
IUPAC Name2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine
SMILESc1ccc(Cn2cc(-c3cccc(-n4ccnc4)c3)nn2)nc1
InChIInChI=1S/C17H14N6/c1-2-7-19-15(5-1)11-23-12-17(20-21-23)14-4-3-6-16(10-14)22-9-8-18-13-22/h1-10,12-13H,11H2
InChIKeyMSEGEDADXQEXJS-UHFFFAOYSA-N
XLogP2.57
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine (CID 175938528) is 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine is c1ccc(Cn2cc(-c3cccc(-n4ccnc4)c3)nn2)nc1.
What is the InChIKey of 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine?
The InChIKey is MSEGEDADXQEXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6/c1-2-7-19-15(5-1)11-23-12-17(20-21-23)14-4-3-6-16(10-14)22-9-8-18-13-22/h1-10,12-13H,11H2.
What are the key properties of 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine?
2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine has a molecular weight of 302.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-imidazol-1-ylphenyl)triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 175938528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).