1-(1H-1,2,4-triazol-5-yl)-2H-pyridine

C7H8N4 — CID 57293588

IUPAC1-(1H-1,2,4-triazol-5-yl)-2H-pyridine
SMILESC1=CCN(c2ncn[nH]2)C=C1
InChIInChI=1S/C7H8N4/c1-2-4-11(5-3-1)7-8-6-9-10-7/h1-4,6H,5H2,(H,8,9,10)
InChIKeyILPSYLARRPSEIW-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.69
Rot. Bonds1

About 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine

1-(1H-1,2,4-triazol-5-yl)-2H-pyridine (PubChem CID 57293588) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine.

Molecular Properties

Compound Name1-(1H-1,2,4-triazol-5-yl)-2H-pyridine
PubChem CID57293588
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name1-(1H-1,2,4-triazol-5-yl)-2H-pyridine
SMILESC1=CCN(c2ncn[nH]2)C=C1
InChIInChI=1S/C7H8N4/c1-2-4-11(5-3-1)7-8-6-9-10-7/h1-4,6H,5H2,(H,8,9,10)
InChIKeyILPSYLARRPSEIW-UHFFFAOYSA-N
XLogP0.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The IUPAC name of 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine (CID 57293588) is 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine.
What is the SMILES notation for 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The canonical SMILES for 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine is C1=CCN(c2ncn[nH]2)C=C1.
What is the InChIKey of 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
The InChIKey is ILPSYLARRPSEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-2-4-11(5-3-1)7-8-6-9-10-7/h1-4,6H,5H2,(H,8,9,10).
What are the key properties of 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine?
1-(1H-1,2,4-triazol-5-yl)-2H-pyridine has a molecular weight of 148.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-1,2,4-triazol-5-yl)-2H-pyridine is sourced from PubChem (CID 57293588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).