[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine

C12H17N5S — CID 55069976

IUPAC[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCN2CCc3sccc3C2)nn1
InChIInChI=1S/C12H17N5S/c13-7-11-9-17(15-14-11)5-4-16-3-1-12-10(8-16)2-6-18-12/h2,6,9H,1,3-5,7-8,13H2
InChIKeyCKBJGAMOYZSCMP-UHFFFAOYSA-N
MW263.37 g/mol
LogP0.86
Rot. Bonds4

About [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine

[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 55069976) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine
PubChem CID55069976
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine
SMILESNCc1cn(CCN2CCc3sccc3C2)nn1
InChIInChI=1S/C12H17N5S/c13-7-11-9-17(15-14-11)5-4-16-3-1-12-10(8-16)2-6-18-12/h2,6,9H,1,3-5,7-8,13H2
InChIKeyCKBJGAMOYZSCMP-UHFFFAOYSA-N
XLogP0.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-2-pyridinyl]methanamine
CID 63887644
[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114410888
5-(3-iodopropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 130634537
5-(2,2-dimethylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 176622093
5-(3-phenylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 52551128
5-[2-(1,4-diazepan-1-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 55121504
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]cyclohexyl]methanamine
CID 104678673
2-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]acetamide;dihydrochloride
CID 119862338
[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114460424
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methanamine
CID 114411098
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078805

Frequently Asked Questions

What is the IUPAC name of [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine (CID 55069976) is [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine is NCc1cn(CCN2CCc3sccc3C2)nn1.
What is the InChIKey of [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is CKBJGAMOYZSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c13-7-11-9-17(15-14-11)5-4-16-3-1-12-10(8-16)2-6-18-12/h2,6,9H,1,3-5,7-8,13H2.
What are the key properties of [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 263.37 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 55069976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).