5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine

C9H12N4S — CID 153293809

IUPAC5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCC(C)n1cnnc1-c1cc(N)cs1
InChIInChI=1S/C9H12N4S/c1-6(2)13-5-11-12-9(13)8-3-7(10)4-14-8/h3-6H,10H2,1-2H3
InChIKeyNUYOUVXOWGIODC-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.17
Rot. Bonds2

About 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine

5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine (PubChem CID 153293809) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine.

Molecular Properties

Compound Name5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine
PubChem CID153293809
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine
SMILESCC(C)n1cnnc1-c1cc(N)cs1
InChIInChI=1S/C9H12N4S/c1-6(2)13-5-11-12-9(13)8-3-7(10)4-14-8/h3-6H,10H2,1-2H3
InChIKeyNUYOUVXOWGIODC-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine?
The IUPAC name of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine (CID 153293809) is 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine.
What is the SMILES notation for 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine?
The canonical SMILES for 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine is CC(C)n1cnnc1-c1cc(N)cs1.
What is the InChIKey of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine?
The InChIKey is NUYOUVXOWGIODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-6(2)13-5-11-12-9(13)8-3-7(10)4-14-8/h3-6H,10H2,1-2H3.
What are the key properties of 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine?
5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine has a molecular weight of 208.29 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-yl-1,2,4-triazol-3-yl)thiophen-3-amine is sourced from PubChem (CID 153293809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).