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

C6H8N6S — CID 65268517

IUPACN-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C6H8N6S/c1-2-7-6-10-5(12-13-6)4-8-3-9-11-4/h3H,2H2,1H3,(H,7,10,12)(H,8,9,11)
InChIKeyNNURJOHYZHJGGI-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.75
Rot. Bonds3

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

N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268517) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65268517
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC NameN-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ncn[nH]2)ns1
InChIInChI=1S/C6H8N6S/c1-2-7-6-10-5(12-13-6)4-8-3-9-11-4/h3H,2H2,1H3,(H,7,10,12)(H,8,9,11)
InChIKeyNNURJOHYZHJGGI-UHFFFAOYSA-N
XLogP0.75
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine (CID 65268517) is N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is CCNc1nc(-c2ncn[nH]2)ns1.
What is the InChIKey of N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NNURJOHYZHJGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-2-7-6-10-5(12-13-6)4-8-3-9-11-4/h3H,2H2,1H3,(H,7,10,12)(H,8,9,11).
What are the key properties of N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 196.24 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1H-1,2,4-triazol-5-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).