5-(thian-4-yl)-1H-1,2,4-triazol-3-amine

C7H12N4S — CID 115016759

IUPAC5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCSCC2)n1
InChIInChI=1S/C7H12N4S/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeyNOGFKBIMKUXILV-UHFFFAOYSA-N
MW184.27 g/mol
LogP1.00
Rot. Bonds1

About 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine

5-(thian-4-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 115016759) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
PubChem CID115016759
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name5-(thian-4-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(C2CCSCC2)n1
InChIInChI=1S/C7H12N4S/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11)
InChIKeyNOGFKBIMKUXILV-UHFFFAOYSA-N
XLogP1.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine 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

5-(4-aminocyclohexyl)-1H-1,2,4-triazol-3-amine;dihydrochloride
CID 167739892
5-[4-(aminomethyl)cyclohexyl]-1H-1,2,4-triazol-3-amine
CID 79531743
5-(3-bicyclo[4.1.0]heptanyl)-1H-1,2,4-triazol-3-amine
CID 164645808
5-(4-butylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 18811364
5-(3-methylcyclohexyl)-1H-1,2,4-triazol-3-amine
CID 127004880
5-(thian-4-yl)-2H-1,2,4-triazin-3-one
CID 105450795
5-(thian-4-yl)-1,2,4-triazin-3-amine
CID 105450174
5-(2-adamantyl)-1H-1,2,4-triazol-3-amine
CID 81096033
2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)propan-2-amine
CID 61336979
5-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thiophen-2-amine
CID 61336985
5-(5-methyloxolan-2-yl)-1H-1,2,4-triazol-3-amine
CID 81330712
3-(thian-4-yl)-1,2,4-oxadiazol-5-amine
CID 115016917

Frequently Asked Questions

What is the IUPAC name of 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine (CID 115016759) is 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(C2CCSCC2)n1.
What is the InChIKey of 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is NOGFKBIMKUXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c8-7-9-6(10-11-7)5-1-3-12-4-2-5/h5H,1-4H2,(H3,8,9,10,11).
What are the key properties of 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine?
5-(thian-4-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 184.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thian-4-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 115016759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).