1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

C10H14N4S — CID 60977548

IUPAC1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ncn[nH]2)s1
InChIInChI=1S/C10H14N4S/c1-7-3-4-9(15-7)8(2)11-5-10-12-6-13-14-10/h3-4,6,8,11H,5H2,1-2H3,(H,12,13,14)
InChIKeyGVGYPRWSQNDRNU-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.03
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine

1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (PubChem CID 60977548) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
PubChem CID60977548
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC Name1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
SMILESCc1ccc(C(C)NCc2ncn[nH]2)s1
InChIInChI=1S/C10H14N4S/c1-7-3-4-9(15-7)8(2)11-5-10-12-6-13-14-10/h3-4,6,8,11H,5H2,1-2H3,(H,12,13,14)
InChIKeyGVGYPRWSQNDRNU-UHFFFAOYSA-N
XLogP2.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine (CID 60977548) is 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is Cc1ccc(C(C)NCc2ncn[nH]2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
The InChIKey is GVGYPRWSQNDRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-7-3-4-9(15-7)8(2)11-5-10-12-6-13-14-10/h3-4,6,8,11H,5H2,1-2H3,(H,12,13,14).
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine?
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine has a molecular weight of 222.32 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 60977548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).