2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine

C17H16N8 — CID 102170712

IUPAC2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn(CCCn3cc(-c4ccccn4)nn3)nn2)nc1
InChIInChI=1S/C17H16N8/c1-3-8-18-14(6-1)16-12-24(22-20-16)10-5-11-25-13-17(21-23-25)15-7-2-4-9-19-15/h1-4,6-9,12-13H,5,10-11H2
InChIKeyOUDQTIIXYKWAEC-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.08
Rot. Bonds6

About 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine

2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine (PubChem CID 102170712) has the molecular formula C17H16N8 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine
PubChem CID102170712
Molecular FormulaC17H16N8
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine
SMILESc1ccc(-c2cn(CCCn3cc(-c4ccccn4)nn3)nn2)nc1
InChIInChI=1S/C17H16N8/c1-3-8-18-14(6-1)16-12-24(22-20-16)10-5-11-25-13-17(21-23-25)15-7-2-4-9-19-15/h1-4,6-9,12-13H,5,10-11H2
InChIKeyOUDQTIIXYKWAEC-UHFFFAOYSA-N
XLogP2.08
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1h-[1,2,3]Triazol-4-yl)pyridine
CID 9812807
2,3-Bis(2-pyridyl)pyrazine
CID 719680
3-[1-[6-[4-(2-Phenylphenyl)triazol-1-yl]hexyl]triazol-4-yl]pyridine
CID 86306022
3-[1-[7-[4-(2-Phenylphenyl)triazol-1-yl]heptyl]triazol-4-yl]pyridine
CID 86306023
3-[1-[8-[4-(2-Phenylphenyl)triazol-1-yl]octyl]triazol-4-yl]pyridine
CID 86306024
1-(Pyridin-4-yl)-1h-benzotriazole
CID 291133
1-phenyl-1H-[1,2,3]triazolo[4,5-c]pyridine
CID 661622
2-[1-[[(2R,5R)-5-[(4-pyridin-2-yltriazol-1-yl)methyl]oxolan-2-yl]methyl]triazol-4-yl]pyridine
CID 23731407
1-[(E)-2-(2-pyridyl)vinyl]benzotriazole
CID 24892260
3-[1-[7-[1-(2-Phenylphenyl)triazol-4-yl]heptyl]triazol-4-yl]pyridine
CID 137644786
3-[4-[7-[4-(2-Phenylphenyl)triazol-1-yl]heptyl]triazol-1-yl]pyridine
CID 137656922
2,5-Bis((E)-2-(1-methyl-1H-pyrrol-2-yl)vinyl)pyrazine
CID 56933066

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine (CID 102170712) is 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine is c1ccc(-c2cn(CCCn3cc(-c4ccccn4)nn3)nn2)nc1.
What is the InChIKey of 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine?
The InChIKey is OUDQTIIXYKWAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8/c1-3-8-18-14(6-1)16-12-24(22-20-16)10-5-11-25-13-17(21-23-25)15-7-2-4-9-19-15/h1-4,6-9,12-13H,5,10-11H2.
What are the key properties of 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine?
2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine has a molecular weight of 332.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(4-pyridin-2-yltriazol-1-yl)propyl]triazol-4-yl]pyridine is sourced from PubChem (CID 102170712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).