2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine

C11H17N5S — CID 114352026

IUPAC2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
SMILESCc1nnc2sc(C3(C)CCCCC3N)nn12
InChIInChI=1S/C11H17N5S/c1-7-13-14-10-16(7)15-9(17-10)11(2)6-4-3-5-8(11)12/h8H,3-6,12H2,1-2H3
InChIKeyAYKOQMHRNQOLMA-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.65
Rot. Bonds1

About 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine

2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine (PubChem CID 114352026) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
PubChem CID114352026
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC Name2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
SMILESCc1nnc2sc(C3(C)CCCCC3N)nn12
InChIInChI=1S/C11H17N5S/c1-7-13-14-10-16(7)15-9(17-10)11(2)6-4-3-5-8(11)12/h8H,3-6,12H2,1-2H3
InChIKeyAYKOQMHRNQOLMA-UHFFFAOYSA-N
XLogP1.65
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine (CID 114352026) is 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine is Cc1nnc2sc(C3(C)CCCCC3N)nn12.
What is the InChIKey of 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The InChIKey is AYKOQMHRNQOLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-7-13-14-10-16(7)15-9(17-10)11(2)6-4-3-5-8(11)12/h8H,3-6,12H2,1-2H3.
What are the key properties of 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 114352026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).