2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine

C19H15N5 — CID 46882289

IUPAC2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(-c2n[nH]c(-c3ccnc(-c4ccccc4)c3)n2)ccn1
InChIInChI=1S/C19H15N5/c1-13-11-15(7-9-20-13)18-22-19(24-23-18)16-8-10-21-17(12-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24)
InChIKeyLHFJTLLGOOHVRR-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.90
Rot. Bonds3

About 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine

2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 46882289) has the molecular formula C19H15N5 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID46882289
Molecular FormulaC19H15N5
Molecular Weight313.36 g/mol
Exact Mass313.13
IUPAC Name2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCc1cc(-c2n[nH]c(-c3ccnc(-c4ccccc4)c3)n2)ccn1
InChIInChI=1S/C19H15N5/c1-13-11-15(7-9-20-13)18-22-19(24-23-18)16-8-10-21-17(12-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24)
InChIKeyLHFJTLLGOOHVRR-UHFFFAOYSA-N
XLogP3.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 46882289) is 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine is Cc1cc(-c2n[nH]c(-c3ccnc(-c4ccccc4)c3)n2)ccn1.
What is the InChIKey of 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is LHFJTLLGOOHVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5/c1-13-11-15(7-9-20-13)18-22-19(24-23-18)16-8-10-21-17(12-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,22,23,24).
What are the key properties of 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine?
2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 313.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[5-(2-phenyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 46882289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).