5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine

C10H14N4OS — CID 55090828

IUPAC5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine
SMILESCOCCn1cnnc1-c1sc(N)cc1C
InChIInChI=1S/C10H14N4OS/c1-7-5-8(11)16-9(7)10-13-12-6-14(10)3-4-15-2/h5-6H,3-4,11H2,1-2H3
InChIKeyDEAQISJUTWAYCX-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.54
Rot. Bonds4

About 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine

5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine (PubChem CID 55090828) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine
PubChem CID55090828
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine
SMILESCOCCn1cnnc1-c1sc(N)cc1C
InChIInChI=1S/C10H14N4OS/c1-7-5-8(11)16-9(7)10-13-12-6-14(10)3-4-15-2/h5-6H,3-4,11H2,1-2H3
InChIKeyDEAQISJUTWAYCX-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine?
The IUPAC name of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine (CID 55090828) is 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine.
What is the SMILES notation for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine?
The canonical SMILES for 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine is COCCn1cnnc1-c1sc(N)cc1C.
What is the InChIKey of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine?
The InChIKey is DEAQISJUTWAYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7-5-8(11)16-9(7)10-13-12-6-14(10)3-4-15-2/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine?
5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-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 5-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-4-methylthiophen-2-amine is sourced from PubChem (CID 55090828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).