(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone

C12H17N7OS — CID 66499334

IUPAC(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCSc1nc2nnc(C(=O)N3CCN(C)CC3)c(C)n2n1
InChIInChI=1S/C12H17N7OS/c1-8-9(10(20)18-6-4-17(2)5-7-18)14-15-11-13-12(21-3)16-19(8)11/h4-7H2,1-3H3
InChIKeyGZBKTBNEONHVOW-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.06
Rot. Bonds2

About (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone

(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 66499334) has the molecular formula C12H17N7OS and a molecular weight of 307.38 g/mol. Its IUPAC name is (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID66499334
Molecular FormulaC12H17N7OS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCSc1nc2nnc(C(=O)N3CCN(C)CC3)c(C)n2n1
InChIInChI=1S/C12H17N7OS/c1-8-9(10(20)18-6-4-17(2)5-7-18)14-15-11-13-12(21-3)16-19(8)11/h4-7H2,1-3H3
InChIKeyGZBKTBNEONHVOW-UHFFFAOYSA-N
XLogP-0.06
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone (CID 66499334) is (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone is CSc1nc2nnc(C(=O)N3CCN(C)CC3)c(C)n2n1.
What is the InChIKey of (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GZBKTBNEONHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7OS/c1-8-9(10(20)18-6-4-17(2)5-7-18)14-15-11-13-12(21-3)16-19(8)11/h4-7H2,1-3H3.
What are the key properties of (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone?
(4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 307.38 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 66499334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).