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

C10H7N5 — CID 55239789

IUPAC1-(1,2,4-triazol-1-yl)phthalazine
SMILESc1ccc2c(-n3cncn3)nncc2c1
InChIInChI=1S/C10H7N5/c1-2-4-9-8(3-1)5-12-14-10(9)15-7-11-6-13-15/h1-7H
InChIKeyZYVUHOKOSFHNJI-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.21
Rot. Bonds1

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

1-(1,2,4-triazol-1-yl)phthalazine (PubChem CID 55239789) has the molecular formula C10H7N5 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(1,2,4-triazol-1-yl)phthalazine.

Molecular Properties

Compound Name1-(1,2,4-triazol-1-yl)phthalazine
PubChem CID55239789
Molecular FormulaC10H7N5
Molecular Weight197.20 g/mol
Exact Mass197.07
IUPAC Name1-(1,2,4-triazol-1-yl)phthalazine
SMILESc1ccc2c(-n3cncn3)nncc2c1
InChIInChI=1S/C10H7N5/c1-2-4-9-8(3-1)5-12-14-10(9)15-7-11-6-13-15/h1-7H
InChIKeyZYVUHOKOSFHNJI-UHFFFAOYSA-N
XLogP1.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazol-1-yl)phthalazine?
The IUPAC name of 1-(1,2,4-triazol-1-yl)phthalazine (CID 55239789) is 1-(1,2,4-triazol-1-yl)phthalazine.
What is the SMILES notation for 1-(1,2,4-triazol-1-yl)phthalazine?
The canonical SMILES for 1-(1,2,4-triazol-1-yl)phthalazine is c1ccc2c(-n3cncn3)nncc2c1.
What is the InChIKey of 1-(1,2,4-triazol-1-yl)phthalazine?
The InChIKey is ZYVUHOKOSFHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5/c1-2-4-9-8(3-1)5-12-14-10(9)15-7-11-6-13-15/h1-7H.
What are the key properties of 1-(1,2,4-triazol-1-yl)phthalazine?
1-(1,2,4-triazol-1-yl)phthalazine has a molecular weight of 197.20 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-1-yl)phthalazine is sourced from PubChem (CID 55239789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).