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

C19H15N5O — CID 145349648

IUPAC2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
SMILESCOc1ncccc1-c1ccnc(-c2nc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C19H15N5O/c1-25-19-15(8-5-10-21-19)14-9-11-20-16(12-14)18-22-17(23-24-18)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23,24)
InChIKeyQPKYJJWWMDADRL-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.60
Rot. Bonds4

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

2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine (PubChem CID 145349648) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
PubChem CID145349648
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine
SMILESCOc1ncccc1-c1ccnc(-c2nc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C19H15N5O/c1-25-19-15(8-5-10-21-19)14-9-11-20-16(12-14)18-22-17(23-24-18)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23,24)
InChIKeyQPKYJJWWMDADRL-UHFFFAOYSA-N
XLogP3.60
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
5-(2-methoxy-3-pyridinyl)-1H-indazol-3-amine
CID 68739130
2-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918272
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
6-(2-methoxy-3-pyridinyl)-1H-benzimidazole
CID 50963824
2-methoxy-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 75508297
sodium 2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)pyridine
CID 22564555
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
N-methyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354389
2-methoxy-3-(3,4,5-trichlorophenyl)pyridine
CID 134637897

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
The IUPAC name of 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine (CID 145349648) is 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
The canonical SMILES for 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine is COc1ncccc1-c1ccnc(-c2nc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
The InChIKey is QPKYJJWWMDADRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-25-19-15(8-5-10-21-19)14-9-11-20-16(12-14)18-22-17(23-24-18)13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23,24).
What are the key properties of 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine?
2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine has a molecular weight of 329.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)-4-pyridinyl]pyridine is sourced from PubChem (CID 145349648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).