4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C9H8N6OS — CID 43106040

IUPAC4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C9H8N6OS/c1-4-2-5(10)17-6(4)9-13-8(15-16-9)7-11-3-12-14-7/h2-3H,10H2,1H3,(H,11,12,14)
InChIKeyQYDCMEGZWOAYJV-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 43106040) has the molecular formula C9H8N6OS and a molecular weight of 248.27 g/mol. Its IUPAC name is 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID43106040
Molecular FormulaC9H8N6OS
Molecular Weight248.27 g/mol
Exact Mass248.05
IUPAC Name4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCc1cc(N)sc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C9H8N6OS/c1-4-2-5(10)17-6(4)9-13-8(15-16-9)7-11-3-12-14-7/h2-3H,10H2,1H3,(H,11,12,14)
InChIKeyQYDCMEGZWOAYJV-UHFFFAOYSA-N
XLogP1.47
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 43106040) is 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is Cc1cc(N)sc1-c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is QYDCMEGZWOAYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6OS/c1-4-2-5(10)17-6(4)9-13-8(15-16-9)7-11-3-12-14-7/h2-3H,10H2,1H3,(H,11,12,14).
What are the key properties of 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 248.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 43106040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).