N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine

C13H17N5S — CID 146202114

IUPACN-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C2CC(Cc3cccnn3)C2)s1
InChIInChI=1S/C13H17N5S/c1-2-14-13-18-17-12(19-13)10-6-9(7-10)8-11-4-3-5-15-16-11/h3-5,9-10H,2,6-8H2,1H3,(H,14,18)
InChIKeyZQBQBTXOOAOVMH-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine (PubChem CID 146202114) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
PubChem CID146202114
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC NameN-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(C2CC(Cc3cccnn3)C2)s1
InChIInChI=1S/C13H17N5S/c1-2-14-13-18-17-12(19-13)10-6-9(7-10)8-11-4-3-5-15-16-11/h3-5,9-10H,2,6-8H2,1H3,(H,14,18)
InChIKeyZQBQBTXOOAOVMH-UHFFFAOYSA-N
XLogP2.50
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine (CID 146202114) is N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(C2CC(Cc3cccnn3)C2)s1.
What is the InChIKey of N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZQBQBTXOOAOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-2-14-13-18-17-12(19-13)10-6-9(7-10)8-11-4-3-5-15-16-11/h3-5,9-10H,2,6-8H2,1H3,(H,14,18).
What are the key properties of N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[3-(pyridazin-3-ylmethyl)cyclobutyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 146202114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).