4-(4,5-dihydro-1H-triazol-5-yl)pyridine

C7H8N4 — CID 91182101

IUPAC4-(4,5-dihydro-1H-triazol-5-yl)pyridine
SMILESc1cc(C2CN=NN2)ccn1
InChIInChI=1S/C7H8N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-4,7H,5H2,(H,9,10)
InChIKeyYNGZOWKDIPZXBC-UHFFFAOYSA-N
MW148.17 g/mol
LogP1.09
Rot. Bonds1

About 4-(4,5-dihydro-1H-triazol-5-yl)pyridine

4-(4,5-dihydro-1H-triazol-5-yl)pyridine (PubChem CID 91182101) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-triazol-5-yl)pyridine.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-triazol-5-yl)pyridine
PubChem CID91182101
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name4-(4,5-dihydro-1H-triazol-5-yl)pyridine
SMILESc1cc(C2CN=NN2)ccn1
InChIInChI=1S/C7H8N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-4,7H,5H2,(H,9,10)
InChIKeyYNGZOWKDIPZXBC-UHFFFAOYSA-N
XLogP1.09
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-triazol-5-yl)pyridine?
The IUPAC name of 4-(4,5-dihydro-1H-triazol-5-yl)pyridine (CID 91182101) is 4-(4,5-dihydro-1H-triazol-5-yl)pyridine.
What is the SMILES notation for 4-(4,5-dihydro-1H-triazol-5-yl)pyridine?
The canonical SMILES for 4-(4,5-dihydro-1H-triazol-5-yl)pyridine is c1cc(C2CN=NN2)ccn1.
What is the InChIKey of 4-(4,5-dihydro-1H-triazol-5-yl)pyridine?
The InChIKey is YNGZOWKDIPZXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-3-8-4-2-6(1)7-5-9-11-10-7/h1-4,7H,5H2,(H,9,10).
What are the key properties of 4-(4,5-dihydro-1H-triazol-5-yl)pyridine?
4-(4,5-dihydro-1H-triazol-5-yl)pyridine has a molecular weight of 148.17 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-triazol-5-yl)pyridine is sourced from PubChem (CID 91182101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).