N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine

C7H10N6S — CID 65268929

IUPACN-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C7H10N6S/c1-2-3-8-7-11-6(13-14-7)5-9-4-10-12-5/h4H,2-3H2,1H3,(H,8,11,13)(H,9,10,12)
InChIKeyLSKNUFZPJWEFMV-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.15
Rot. Bonds4

About N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine

N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268929) has the molecular formula C7H10N6S and a molecular weight of 210.27 g/mol. Its IUPAC name is N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268929
Molecular FormulaC7H10N6S
Molecular Weight210.27 g/mol
Exact Mass210.07
IUPAC NameN-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C7H10N6S/c1-2-3-8-7-11-6(13-14-7)5-9-4-10-12-5/h4H,2-3H2,1H3,(H,8,11,13)(H,9,10,12)
InChIKeyLSKNUFZPJWEFMV-UHFFFAOYSA-N
XLogP1.15
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine 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 N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (CID 65268929) is N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2ncn[nH]2)ns1.
What is the InChIKey of N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is LSKNUFZPJWEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6S/c1-2-3-8-7-11-6(13-14-7)5-9-4-10-12-5/h4H,2-3H2,1H3,(H,8,11,13)(H,9,10,12).
What are the key properties of N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 210.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).