1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

C8H10N4S — CID 62734153

IUPAC1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(N)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H10N4S/c1-5(9)7-10-8(12-11-7)6-3-2-4-13-6/h2-5H,9H2,1H3,(H,10,11,12)
InChIKeyAVSNPKFQASEHNB-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.55
Rot. Bonds2

About 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 62734153) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID62734153
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESCC(N)c1nc(-c2cccs2)n[nH]1
InChIInChI=1S/C8H10N4S/c1-5(9)7-10-8(12-11-7)6-3-2-4-13-6/h2-5H,9H2,1H3,(H,10,11,12)
InChIKeyAVSNPKFQASEHNB-UHFFFAOYSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (CID 62734153) is 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is CC(N)c1nc(-c2cccs2)n[nH]1.
What is the InChIKey of 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is AVSNPKFQASEHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5(9)7-10-8(12-11-7)6-3-2-4-13-6/h2-5H,9H2,1H3,(H,10,11,12).
What are the key properties of 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 194.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 62734153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).