4-(triazol-1-ylmethyl)pyridine

C8H8N4 — CID 91272686

IUPAC4-(triazol-1-ylmethyl)pyridine
SMILESc1cc(Cn2ccnn2)ccn1
InChIInChI=1S/C8H8N4/c1-3-9-4-2-8(1)7-12-6-5-10-11-12/h1-6H,7H2
InChIKeyATCUUVBAGBUKET-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.72
Rot. Bonds2

About 4-(triazol-1-ylmethyl)pyridine

4-(triazol-1-ylmethyl)pyridine (PubChem CID 91272686) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 4-(triazol-1-ylmethyl)pyridine.

Molecular Properties

Compound Name4-(triazol-1-ylmethyl)pyridine
PubChem CID91272686
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name4-(triazol-1-ylmethyl)pyridine
SMILESc1cc(Cn2ccnn2)ccn1
InChIInChI=1S/C8H8N4/c1-3-9-4-2-8(1)7-12-6-5-10-11-12/h1-6H,7H2
InChIKeyATCUUVBAGBUKET-UHFFFAOYSA-N
XLogP0.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-ylmethyl)pyridine?
The IUPAC name of 4-(triazol-1-ylmethyl)pyridine (CID 91272686) is 4-(triazol-1-ylmethyl)pyridine.
What is the SMILES notation for 4-(triazol-1-ylmethyl)pyridine?
The canonical SMILES for 4-(triazol-1-ylmethyl)pyridine is c1cc(Cn2ccnn2)ccn1.
What is the InChIKey of 4-(triazol-1-ylmethyl)pyridine?
The InChIKey is ATCUUVBAGBUKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c1-3-9-4-2-8(1)7-12-6-5-10-11-12/h1-6H,7H2.
What are the key properties of 4-(triazol-1-ylmethyl)pyridine?
4-(triazol-1-ylmethyl)pyridine has a molecular weight of 160.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-ylmethyl)pyridine is sourced from PubChem (CID 91272686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).