5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine

C5H6N6S — CID 10954150

IUPAC5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cn2cncn2)s1
InChIInChI=1S/C5H6N6S/c6-5-10-9-4(12-5)1-11-3-7-2-8-11/h2-3H,1H2,(H2,6,10)
InChIKeyMDHJTXFFPJZVNO-UHFFFAOYSA-N
MW182.21 g/mol
LogP-0.24
Rot. Bonds2

About 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine

5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 10954150) has the molecular formula C5H6N6S and a molecular weight of 182.21 g/mol. Its IUPAC name is 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID10954150
Molecular FormulaC5H6N6S
Molecular Weight182.21 g/mol
Exact Mass182.04
IUPAC Name5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cn2cncn2)s1
InChIInChI=1S/C5H6N6S/c6-5-10-9-4(12-5)1-11-3-7-2-8-11/h2-3H,1H2,(H2,6,10)
InChIKeyMDHJTXFFPJZVNO-UHFFFAOYSA-N
XLogP-0.24
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 10954150) is 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(Cn2cncn2)s1.
What is the InChIKey of 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MDHJTXFFPJZVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6S/c6-5-10-9-4(12-5)1-11-3-7-2-8-11/h2-3H,1H2,(H2,6,10).
What are the key properties of 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 182.21 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4-triazol-1-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 10954150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).