5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H16N6S — CID 80607833

IUPAC5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nc(CC)n(Cc2nnc(NC)s2)n1
InChIInChI=1S/C10H16N6S/c1-4-7-12-8(5-2)16(15-7)6-9-13-14-10(11-3)17-9/h4-6H2,1-3H3,(H,11,14)
InChIKeyWNBKAFQVAAPPJZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP1.34
Rot. Bonds5

About 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607833) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID80607833
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nc(CC)n(Cc2nnc(NC)s2)n1
InChIInChI=1S/C10H16N6S/c1-4-7-12-8(5-2)16(15-7)6-9-13-14-10(11-3)17-9/h4-6H2,1-3H3,(H,11,14)
InChIKeyWNBKAFQVAAPPJZ-UHFFFAOYSA-N
XLogP1.34
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 80607833) is 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CCc1nc(CC)n(Cc2nnc(NC)s2)n1.
What is the InChIKey of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is WNBKAFQVAAPPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-4-7-12-8(5-2)16(15-7)6-9-13-14-10(11-3)17-9/h4-6H2,1-3H3,(H,11,14).
What are the key properties of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 252.35 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).