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

C12H19N5S — CID 114352110

IUPACN-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nn3c(C)nnc3s2)CCCCC1
InChIInChI=1S/C12H19N5S/c1-9-14-15-11-17(9)16-10(18-11)8-12(13-2)6-4-3-5-7-12/h13H,3-8H2,1-2H3
InChIKeyMNOSCKRDUWHTJS-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.96
Rot. Bonds3

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

N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine (PubChem CID 114352110) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine
PubChem CID114352110
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine
SMILESCNC1(Cc2nn3c(C)nnc3s2)CCCCC1
InChIInChI=1S/C12H19N5S/c1-9-14-15-11-17(9)16-10(18-11)8-12(13-2)6-4-3-5-7-12/h13H,3-8H2,1-2H3
InChIKeyMNOSCKRDUWHTJS-UHFFFAOYSA-N
XLogP1.96
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanamine
CID 28812162
1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexan-1-amine
CID 82621372
1-cyclohexyl-3-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]urea
CID 110401080
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114352100
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164
ethyl 1-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexane-1-carboxylate
CID 114351861
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]methanesulfonamide
CID 110401126
5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)pentan-2-amine
CID 114352120
3-methyl-6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 82476945
2,2,2-trifluoro-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]ethanamine
CID 114351983
methyl N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]carbamate
CID 110401102
N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]butanamide
CID 110401028

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine (CID 114352110) is N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine is CNC1(Cc2nn3c(C)nnc3s2)CCCCC1.
What is the InChIKey of N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine?
The InChIKey is MNOSCKRDUWHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-9-14-15-11-17(9)16-10(18-11)8-12(13-2)6-4-3-5-7-12/h13H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine?
N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine has a molecular weight of 265.39 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114352110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).