1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine

C9H13N5S — CID 114355673

IUPAC1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine
SMILESCNCc1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C9H13N5S/c1-10-5-7-13-14-8(6-3-2-4-6)11-12-9(14)15-7/h6,10H,2-5H2,1H3
InChIKeyZUHDBWZXFWAQHN-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.17
Rot. Bonds3

About 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine

1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine (PubChem CID 114355673) has the molecular formula C9H13N5S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine
PubChem CID114355673
Molecular FormulaC9H13N5S
Molecular Weight223.30 g/mol
Exact Mass223.09
IUPAC Name1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine
SMILESCNCc1nn2c(C3CCC3)nnc2s1
InChIInChI=1S/C9H13N5S/c1-10-5-7-13-14-8(6-3-2-4-6)11-12-9(14)15-7/h6,10H,2-5H2,1H3
InChIKeyZUHDBWZXFWAQHN-UHFFFAOYSA-N
XLogP1.17
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine (CID 114355673) is 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine is CNCc1nn2c(C3CCC3)nnc2s1.
What is the InChIKey of 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine?
The InChIKey is ZUHDBWZXFWAQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S/c1-10-5-7-13-14-8(6-3-2-4-6)11-12-9(14)15-7/h6,10H,2-5H2,1H3.
What are the key properties of 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine?
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine has a molecular weight of 223.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-methylmethanamine is sourced from PubChem (CID 114355673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).