2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine

C7H8N4 — CID 19041087

IUPAC2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine
SMILESC1=CNC(n2cncn2)C=C1
InChIInChI=1S/C7H8N4/c1-2-4-9-7(3-1)11-6-8-5-10-11/h1-7,9H
InChIKeyVRFVRHAMOKOMDE-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.45
Rot. Bonds1

About 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine

2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine (PubChem CID 19041087) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine
PubChem CID19041087
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine
SMILESC1=CNC(n2cncn2)C=C1
InChIInChI=1S/C7H8N4/c1-2-4-9-7(3-1)11-6-8-5-10-11/h1-7,9H
InChIKeyVRFVRHAMOKOMDE-UHFFFAOYSA-N
XLogP0.45
TPSA42.74 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 ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine (CID 19041087) is 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine is C1=CNC(n2cncn2)C=C1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
The InChIKey is VRFVRHAMOKOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-2-4-9-7(3-1)11-6-8-5-10-11/h1-7,9H.
What are the key properties of 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine?
2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine has a molecular weight of 148.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-1,2-dihydropyridine is sourced from PubChem (CID 19041087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).