3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine

C20H15ClN4 — CID 155518832

IUPAC3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESClc1cccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)c1
InChIInChI=1S/C20H15ClN4/c21-19-5-1-3-17(11-19)20-14-25(24-23-20)13-15-6-8-16(9-7-15)18-4-2-10-22-12-18/h1-12,14H,13H2
InChIKeyDTIBDUZHSDASKY-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.71
Rot. Bonds4

About 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine

3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine (PubChem CID 155518832) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine
PubChem CID155518832
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine
SMILESClc1cccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)c1
InChIInChI=1S/C20H15ClN4/c21-19-5-1-3-17(11-19)20-14-25(24-23-20)13-15-6-8-16(9-7-15)18-4-2-10-22-12-18/h1-12,14H,13H2
InChIKeyDTIBDUZHSDASKY-UHFFFAOYSA-N
XLogP4.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
The IUPAC name of 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine (CID 155518832) is 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine is Clc1cccc(-c2cn(Cc3ccc(-c4cccnc4)cc3)nn2)c1.
What is the InChIKey of 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
The InChIKey is DTIBDUZHSDASKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-19-5-1-3-17(11-19)20-14-25(24-23-20)13-15-6-8-16(9-7-15)18-4-2-10-22-12-18/h1-12,14H,13H2.
What are the key properties of 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine?
3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine has a molecular weight of 346.82 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(3-chlorophenyl)triazol-1-yl]methyl]phenyl]pyridine is sourced from PubChem (CID 155518832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).