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

C12H20N6S — CID 80607925

IUPAC5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(Cn2nc(CC)nc2CC)s1
InChIInChI=1S/C12H20N6S/c1-4-7-13-12-16-15-11(19-12)8-18-10(6-3)14-9(5-2)17-18/h4-8H2,1-3H3,(H,13,16)
InChIKeyMWZHNBILMNVSBS-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.12
Rot. Bonds7

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

5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80607925) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80607925
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC Name5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(Cn2nc(CC)nc2CC)s1
InChIInChI=1S/C12H20N6S/c1-4-7-13-12-16-15-11(19-12)8-18-10(6-3)14-9(5-2)17-18/h4-8H2,1-3H3,(H,13,16)
InChIKeyMWZHNBILMNVSBS-UHFFFAOYSA-N
XLogP2.12
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.12
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-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80607925) is 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(Cn2nc(CC)nc2CC)s1.
What is the InChIKey of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MWZHNBILMNVSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6S/c1-4-7-13-12-16-15-11(19-12)8-18-10(6-3)14-9(5-2)17-18/h4-8H2,1-3H3,(H,13,16).
What are the key properties of 5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 280.40 g/mol, XLogP of 2.12, 7 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-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).