4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one

C14H14N4O2 — CID 69352725

IUPAC4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one
SMILESCOc1ccc(N2C=CC=C(c3n[nH][nH]c3=O)C2)cc1
InChIInChI=1S/C14H14N4O2/c1-20-12-6-4-11(5-7-12)18-8-2-3-10(9-18)13-14(19)16-17-15-13/h2-8H,9H2,1H3,(H2,15,16,17,19)
InChIKeySCBIFRTUEMSZSX-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.52
Rot. Bonds3

About 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one

4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one (PubChem CID 69352725) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one
PubChem CID69352725
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one
SMILESCOc1ccc(N2C=CC=C(c3n[nH][nH]c3=O)C2)cc1
InChIInChI=1S/C14H14N4O2/c1-20-12-6-4-11(5-7-12)18-8-2-3-10(9-18)13-14(19)16-17-15-13/h2-8H,9H2,1H3,(H2,15,16,17,19)
InChIKeySCBIFRTUEMSZSX-UHFFFAOYSA-N
XLogP1.52
TPSA74.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one?
The IUPAC name of 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one (CID 69352725) is 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one is COc1ccc(N2C=CC=C(c3n[nH][nH]c3=O)C2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one?
The InChIKey is SCBIFRTUEMSZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-12-6-4-11(5-7-12)18-8-2-3-10(9-18)13-14(19)16-17-15-13/h2-8H,9H2,1H3,(H2,15,16,17,19).
What are the key properties of 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one?
4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one has a molecular weight of 270.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-2H-pyridin-3-yl]-1,2-dihydrotriazol-5-one is sourced from PubChem (CID 69352725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).