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

C11H15N5OS — CID 114355051

IUPAC[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine
SMILESNCC1(c2nn3c(C4CCOC4)nnc3s2)CC1
InChIInChI=1S/C11H15N5OS/c12-6-11(2-3-11)9-15-16-8(7-1-4-17-5-7)13-14-10(16)18-9/h7H,1-6,12H2
InChIKeyVYRQCDBVXURWBP-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.68
Rot. Bonds3

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

[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine (PubChem CID 114355051) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine
PubChem CID114355051
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine
SMILESNCC1(c2nn3c(C4CCOC4)nnc3s2)CC1
InChIInChI=1S/C11H15N5OS/c12-6-11(2-3-11)9-15-16-8(7-1-4-17-5-7)13-14-10(16)18-9/h7H,1-6,12H2
InChIKeyVYRQCDBVXURWBP-UHFFFAOYSA-N
XLogP0.68
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cycloheptan-1-amine
CID 114355038
[1-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)cyclohexyl]methanamine
CID 114354289
3-(oxolan-3-yl)-6-(3-propylpyrrolidin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114355109
1-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]cyclobutan-1-amine
CID 114355115
[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
CID 114353778
3-methyl-2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114354933
3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propanoic acid
CID 114352633
1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-amine
CID 114354921
2-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-2-amine
CID 114355066
1-amino-2-methyl-3-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-2-ol
CID 114355113
4-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)oxan-4-amine
CID 114355608
4-[[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]aniline
CID 114355000

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine (CID 114355051) is [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine is NCC1(c2nn3c(C4CCOC4)nnc3s2)CC1.
What is the InChIKey of [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine?
The InChIKey is VYRQCDBVXURWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c12-6-11(2-3-11)9-15-16-8(7-1-4-17-5-7)13-14-10(16)18-9/h7H,1-6,12H2.
What are the key properties of [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine?
[1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine has a molecular weight of 265.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(oxolan-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopropyl]methanamine is sourced from PubChem (CID 114355051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).