2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one

C12H11N5O — CID 10263720

IUPAC2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one
SMILESCCn1nc(-n2cncn2)c2ccccc2c1=O
InChIInChI=1S/C12H11N5O/c1-2-16-12(18)10-6-4-3-5-9(10)11(15-16)17-8-13-7-14-17/h3-8H,2H2,1H3
InChIKeyIDIAARGUUHSUBZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.00
Rot. Bonds2

About 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one

2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one (PubChem CID 10263720) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one.

Molecular Properties

Compound Name2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one
PubChem CID10263720
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one
SMILESCCn1nc(-n2cncn2)c2ccccc2c1=O
InChIInChI=1S/C12H11N5O/c1-2-16-12(18)10-6-4-3-5-9(10)11(15-16)17-8-13-7-14-17/h3-8H,2H2,1H3
InChIKeyIDIAARGUUHSUBZ-UHFFFAOYSA-N
XLogP1.00
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one?
The IUPAC name of 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one (CID 10263720) is 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one.
What is the SMILES notation for 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one?
The canonical SMILES for 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one is CCn1nc(-n2cncn2)c2ccccc2c1=O.
What is the InChIKey of 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one?
The InChIKey is IDIAARGUUHSUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-2-16-12(18)10-6-4-3-5-9(10)11(15-16)17-8-13-7-14-17/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one?
2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one has a molecular weight of 241.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1,2,4-triazol-1-yl)phthalazin-1-one is sourced from PubChem (CID 10263720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).