Compound C18H13N5O

4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile

CAS: 87540-44-1

Molecular Formula	`C18H13N5O`
Molecular Weight	315.3 g/mol
LogP	2.7
Topological Polar Surface Area	76.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	315.112
Heavy Atoms	24
Complexity	483.0

Chemical Identifiers

CAS Number	87540-44-1
SMILES	`CCOC1=CC=CC2=C1C=NN3C2=NN=C3C4=CC=C(C=C4)C#N`
InChIKey	`SABHNJHETNRYFZ-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H13N5O (CAS: 87540-44-1) is a chemical compound with molecular formula C18H13N5O and molecular weight 315.3 g/mol. Its IUPAC systematic name is 4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile. LogP 2.7 Topological Polar Surface Area 76.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 315.112 Heavy Atoms 24 Complexity 483.0 InChI Key: SABHNJHETNRYFZ-UHFFFAOYSA-N. SMILES: CCOC1=CC=CC2=C1C=NN3C2=NN=C3C4=CC=C(C=C4)C#N.

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