[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine

C13H19N5S — CID 114354289

IUPAC[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine
SMILESNCC1(c2nn3c(C4CC4)nnc3s2)CCCCC1
InChIInChI=1S/C13H19N5S/c14-8-13(6-2-1-3-7-13)11-17-18-10(9-4-5-9)15-16-12(18)19-11/h9H,1-8,14H2
InChIKeyQKLFVGHHRLWPOH-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.22
Rot. Bonds3

About [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine

[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine (PubChem CID 114354289) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine
PubChem CID114354289
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine
SMILESNCC1(c2nn3c(C4CC4)nnc3s2)CCCCC1
InChIInChI=1S/C13H19N5S/c14-8-13(6-2-1-3-7-13)11-17-18-10(9-4-5-9)15-16-12(18)19-11/h9H,1-8,14H2
InChIKeyQKLFVGHHRLWPOH-UHFFFAOYSA-N
XLogP2.22
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
CID 114353778
[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine
CID 114355051
[1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cycloheptyl]methanamine
CID 114354027
[1-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylcyclohexyl]methanamine
CID 114354090
4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine
CID 114355608
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
CID 114355038
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354481
3-cyclopropyl-6-[3-(trifluoromethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114354275
2-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355495
6-(chloromethyl)-3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355979
4-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methyloxolan-3-amine
CID 114355721
3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355109

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine (CID 114354289) is [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine is NCC1(c2nn3c(C4CC4)nnc3s2)CCCCC1.
What is the InChIKey of [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine?
The InChIKey is QKLFVGHHRLWPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c14-8-13(6-2-1-3-7-13)11-17-18-10(9-4-5-9)15-16-12(18)19-11/h9H,1-8,14H2.
What are the key properties of [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine?
[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine has a molecular weight of 277.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine is sourced from PubChem (CID 114354289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).