4-pyridin-4-yl-1H-1,2,4-triazol-5-one

C7H6N4O — CID 19373711

IUPAC4-pyridin-4-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1-c1ccncc1
InChIInChI=1S/C7H6N4O/c12-7-10-9-5-11(7)6-1-3-8-4-2-6/h1-5H,(H,10,12)
InChIKeyYFLZLYNJMLQUIM-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.04
Rot. Bonds1

About 4-pyridin-4-yl-1H-1,2,4-triazol-5-one

4-pyridin-4-yl-1H-1,2,4-triazol-5-one (PubChem CID 19373711) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 4-pyridin-4-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-pyridin-4-yl-1H-1,2,4-triazol-5-one
PubChem CID19373711
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name4-pyridin-4-yl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1-c1ccncc1
InChIInChI=1S/C7H6N4O/c12-7-10-9-5-11(7)6-1-3-8-4-2-6/h1-5H,(H,10,12)
InChIKeyYFLZLYNJMLQUIM-UHFFFAOYSA-N
XLogP-0.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-pyridin-4-yl-1H-1,2,4-triazol-5-one (CID 19373711) is 4-pyridin-4-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-pyridin-4-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-pyridin-4-yl-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-1H-1,2,4-triazol-5-one?
The InChIKey is YFLZLYNJMLQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7-10-9-5-11(7)6-1-3-8-4-2-6/h1-5H,(H,10,12).
What are the key properties of 4-pyridin-4-yl-1H-1,2,4-triazol-5-one?
4-pyridin-4-yl-1H-1,2,4-triazol-5-one has a molecular weight of 162.15 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 19373711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).