4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole

C14H19N3OS — CID 115393552

IUPAC4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc2c(s1)CCCCC2
InChIInChI=1S/C14H19N3OS/c1-18-8-7-17-10-15-16-14(17)13-9-11-5-3-2-4-6-12(11)19-13/h9-10H,2-8H2,1H3
InChIKeyYFLPRIZWGOAKKX-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.92
Rot. Bonds4

About 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole

4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole (PubChem CID 115393552) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
PubChem CID115393552
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
SMILESCOCCn1cnnc1-c1cc2c(s1)CCCCC2
InChIInChI=1S/C14H19N3OS/c1-18-8-7-17-10-15-16-14(17)13-9-11-5-3-2-4-6-12(11)19-13/h9-10H,2-8H2,1H3
InChIKeyYFLPRIZWGOAKKX-UHFFFAOYSA-N
XLogP2.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole with MolForge

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Related Compounds

4-ethyl-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole
CID 115394685
3-(5-chlorothiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393550
3-(5-ethylthiophen-2-yl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393561
N,4-dimethyl-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,2,4-triazol-3-amine
CID 112596381
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine
CID 114916524
4-(2-methoxyethyl)-3-(3-methoxyphenyl)-1,2,4-triazole
CID 113300999
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 105054441
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroisoquinoline
CID 104559539
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 115815107

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole?
The IUPAC name of 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole (CID 115393552) is 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole?
The canonical SMILES for 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole is COCCn1cnnc1-c1cc2c(s1)CCCCC2.
What is the InChIKey of 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole?
The InChIKey is YFLPRIZWGOAKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-18-8-7-17-10-15-16-14(17)13-9-11-5-3-2-4-6-12(11)19-13/h9-10H,2-8H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole?
4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole has a molecular weight of 277.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,2,4-triazole is sourced from PubChem (CID 115393552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).