4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole

C9H13N7S — CID 102798259

IUPAC4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
SMILESCC1CN(c2n[nH]c(-c3csnn3)n2)CCN1
InChIInChI=1S/C9H13N7S/c1-6-4-16(3-2-10-6)9-11-8(13-14-9)7-5-17-15-12-7/h5-6,10H,2-4H2,1H3,(H,11,13,14)
InChIKeyRZEUVKVVUSHSSA-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.12
Rot. Bonds2

About 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole

4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole (PubChem CID 102798259) has the molecular formula C9H13N7S and a molecular weight of 251.32 g/mol. Its IUPAC name is 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole.

Molecular Properties

Compound Name4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
PubChem CID102798259
Molecular FormulaC9H13N7S
Molecular Weight251.32 g/mol
Exact Mass251.10
IUPAC Name4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole
SMILESCC1CN(c2n[nH]c(-c3csnn3)n2)CCN1
InChIInChI=1S/C9H13N7S/c1-6-4-16(3-2-10-6)9-11-8(13-14-9)7-5-17-15-12-7/h5-6,10H,2-4H2,1H3,(H,11,13,14)
InChIKeyRZEUVKVVUSHSSA-UHFFFAOYSA-N
XLogP0.12
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(3,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798298
2-methyl-5-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]-1,3-thiazole
CID 114031043
(3S)-3-methyl-1-[5-(3,4,5-trifluorophenyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798133
(3S)-3-methyl-1-[5-(1-methylpyrazol-4-yl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798174
1-[5-(2,6-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798501
1-[5-(3,4-dichlorophenyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102798340
4-methyl-5-[3-[(3S)-3-methylpiperazin-1-yl]-1H-1,2,4-triazol-5-yl]-1,3-oxazole
CID 102797978
3-methyl-1-[5-(6-methyl-3-pyridinyl)-1H-1,2,4-triazol-3-yl]piperazine
CID 102798380
(3S)-1-[5-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797953
(3S)-1-[5-(3-methoxythiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797886
(3S)-1-[5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797993
3-methyl-1-(5-thieno[3,2-b]thiophen-5-yl-1H-1,2,4-triazol-3-yl)piperazine
CID 102798513

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole?
The IUPAC name of 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole (CID 102798259) is 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole.
What is the SMILES notation for 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole?
The canonical SMILES for 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole is CC1CN(c2n[nH]c(-c3csnn3)n2)CCN1.
What is the InChIKey of 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole?
The InChIKey is RZEUVKVVUSHSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7S/c1-6-4-16(3-2-10-6)9-11-8(13-14-9)7-5-17-15-12-7/h5-6,10H,2-4H2,1H3,(H,11,13,14).
What are the key properties of 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole?
4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole has a molecular weight of 251.32 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylpiperazin-1-yl)-1H-1,2,4-triazol-5-yl]thiadiazole is sourced from PubChem (CID 102798259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).