2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine

C10H14N4OS — CID 114916524

IUPAC2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine
SMILESCOCCn1cnnc1-c1scc(C)c1N
InChIInChI=1S/C10H14N4OS/c1-7-5-16-9(8(7)11)10-13-12-6-14(10)3-4-15-2/h5-6H,3-4,11H2,1-2H3
InChIKeyVANRFHQHHGOKMM-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.54
Rot. Bonds4

About 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine

2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine (PubChem CID 114916524) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine
PubChem CID114916524
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine
SMILESCOCCn1cnnc1-c1scc(C)c1N
InChIInChI=1S/C10H14N4OS/c1-7-5-16-9(8(7)11)10-13-12-6-14(10)3-4-15-2/h5-6H,3-4,11H2,1-2H3
InChIKeyVANRFHQHHGOKMM-UHFFFAOYSA-N
XLogP1.54
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thiophen-3-amine
CID 62709711
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4,6-dimethylaniline
CID 63112611
4-(2-methoxyethyl)-3-thiophen-3-yl-1,2,4-triazole
CID 115393515
3-fluoro-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]aniline
CID 55108013
4-(2-methoxyethyl)-3-(3-methylimidazol-4-yl)-1,2,4-triazole
CID 103512409
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-3,6-dimethylbenzoic acid
CID 103431008
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
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-oxazole
CID 115393609
3-methoxy-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393679
3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-1-methylindazole
CID 103123714
3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine?
The IUPAC name of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine (CID 114916524) is 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine.
What is the SMILES notation for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine?
The canonical SMILES for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine is COCCn1cnnc1-c1scc(C)c1N.
What is the InChIKey of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine?
The InChIKey is VANRFHQHHGOKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7-5-16-9(8(7)11)10-13-12-6-14(10)3-4-15-2/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine?
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine has a molecular weight of 238.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-3-amine is sourced from PubChem (CID 114916524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).