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

C13H14N6OS — CID 114353905

IUPAC[4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nn3c(C4CCCO4)nnc3s2)ccn1
InChIInChI=1S/C13H14N6OS/c14-7-9-6-8(3-4-15-9)12-18-19-11(10-2-1-5-20-10)16-17-13(19)21-12/h3-4,6,10H,1-2,5,7,14H2
InChIKeyGEWUKUPJKBXLJW-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.56
Rot. Bonds3

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

[4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine (PubChem CID 114353905) has the molecular formula C13H14N6OS and a molecular weight of 302.36 g/mol. Its IUPAC name is [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine
PubChem CID114353905
Molecular FormulaC13H14N6OS
Molecular Weight302.36 g/mol
Exact Mass302.09
IUPAC Name[4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine
SMILESNCc1cc(-c2nn3c(C4CCCO4)nnc3s2)ccn1
InChIInChI=1S/C13H14N6OS/c14-7-9-6-8(3-4-15-9)12-18-19-11(10-2-1-5-20-10)16-17-13(19)21-12/h3-4,6,10H,1-2,5,7,14H2
InChIKeyGEWUKUPJKBXLJW-UHFFFAOYSA-N
XLogP1.56
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 136872171
[5-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]furan-2-yl]methanamine
CID 114353797
2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 114353794
[1-[[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]triazol-4-yl]methanamine
CID 114353937
2-methyl-2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine
CID 114353951
[1-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
CID 114353778
[2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]cyclopentyl]methanamine
CID 114353961
2-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pentan-1-amine
CID 114353751
3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbaldehyde
CID 114356284
[4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048308
2-[[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]butan-1-amine
CID 114353836
2-methyl-4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butan-1-amine
CID 114353965

Frequently Asked Questions

What is the IUPAC name of [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine (CID 114353905) is [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine is NCc1cc(-c2nn3c(C4CCCO4)nnc3s2)ccn1.
What is the InChIKey of [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine?
The InChIKey is GEWUKUPJKBXLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6OS/c14-7-9-6-8(3-4-15-9)12-18-19-11(10-2-1-5-20-10)16-17-13(19)21-12/h3-4,6,10H,1-2,5,7,14H2.
What are the key properties of [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine?
[4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine has a molecular weight of 302.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(oxolan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-2-pyridinyl]methanamine is sourced from PubChem (CID 114353905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).