3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine

C15H16N8 — CID 72908374

IUPAC3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1ccnc1-c1cn(CCCc2nnc3ccccn23)nn1
InChIInChI=1S/C15H16N8/c1-21-10-7-16-15(21)12-11-22(20-17-12)8-4-6-14-19-18-13-5-2-3-9-23(13)14/h2-3,5,7,9-11H,4,6,8H2,1H3
InChIKeyXYXVPPCSNLVSSF-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.35
Rot. Bonds5

About 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 72908374) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID72908374
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCn1ccnc1-c1cn(CCCc2nnc3ccccn23)nn1
InChIInChI=1S/C15H16N8/c1-21-10-7-16-15(21)12-11-22(20-17-12)8-4-6-14-19-18-13-5-2-3-9-23(13)14/h2-3,5,7,9-11H,4,6,8H2,1H3
InChIKeyXYXVPPCSNLVSSF-UHFFFAOYSA-N
XLogP1.35
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
CID 72867929
3-[[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridazine
CID 167957721
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
CID 56723920
2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56894413
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
2-[4-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66269970
1-propan-2-yl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111802968
1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111904388
1-tert-butyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111803058
6-chloro-2-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrimidin-4-amine
CID 71982303
2-(2,6-dimethylphenoxy)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 27848457
1-cyclopropyl-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111465978

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 72908374) is 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine is Cn1ccnc1-c1cn(CCCc2nnc3ccccn23)nn1.
What is the InChIKey of 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XYXVPPCSNLVSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-21-10-7-16-15(21)12-11-22(20-17-12)8-4-6-14-19-18-13-5-2-3-9-23(13)14/h2-3,5,7,9-11H,4,6,8H2,1H3.
What are the key properties of 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 308.35 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 72908374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).