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

C10H15N5S — CID 82621372

IUPAC1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
SMILESCc1nnc2sc(C3(N)CCCCC3)nn12
InChIInChI=1S/C10H15N5S/c1-7-12-13-9-15(7)14-8(16-9)10(11)5-3-2-4-6-10/h2-6,11H2,1H3
InChIKeyWRWCKVGNINBGDA-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.61
Rot. Bonds1

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

1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine (PubChem CID 82621372) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
PubChem CID82621372
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
SMILESCc1nnc2sc(C3(N)CCCCC3)nn12
InChIInChI=1S/C10H15N5S/c1-7-12-13-9-15(7)14-8(16-9)10(11)5-3-2-4-6-10/h2-6,11H2,1H3
InChIKeyWRWCKVGNINBGDA-UHFFFAOYSA-N
XLogP1.61
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The IUPAC name of 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine (CID 82621372) is 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine is Cc1nnc2sc(C3(N)CCCCC3)nn12.
What is the InChIKey of 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
The InChIKey is WRWCKVGNINBGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-7-12-13-9-15(7)14-8(16-9)10(11)5-3-2-4-6-10/h2-6,11H2,1H3.
What are the key properties of 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine?
1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine has a molecular weight of 237.33 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 82621372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).