HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 178771237Generated: November 3, 2026

4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone

1(2H)-Phthalazinone, 4-[[[5-(methylthio)-1H-1,2,4-triazol-3-yl]amino]methyl]- · 4-(([5-(Methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino)methyl)-1(2H)-phthalazinone

https://huagongshe.com/en/chemical/178771237

4-({[5-(methylsulfanyl)-1H-1,2,4-triazol-3-yl]amino}methyl)-1(2H)-phthalazinone molecular structure

Identifiers & Physical Properties

CAS No.	305368-16-5
Molecular formula	C12H12N6OS
Average molar mass	288.33 g/mol
SMILES	CSc1nc(NCc2n[nH]c(=O)c3ccccc23)n[nH]1
InChIKey	KJKLMIZOTRRWQB-UHFFFAOYSA-N

Chemical & Physical Properties

XLogP	2
Topological polar surface area	120
Hydrogen bond donors	3
Hydrogen bond acceptors	6
Rotatable bonds	4
Heavy atoms	20
Formal charge	0
Complexity	403
Density	1.60±0.1 g/cm3(Predicted)
pKa (acidity coefficient)	9.60±0.40(Predicted)
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P280-P305+P351+P338

Safety & Regulations

Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H302-H315-H319-H335
GHS precautionary statements	P280-P305+P351+P338