5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

C9H7N5S — CID 14685636

IUPAC5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2ccnc(-c3cccs3)n2n1
InChIInChI=1S/C9H7N5S/c10-9-12-7-3-4-11-8(14(7)13-9)6-2-1-5-15-6/h1-5H,(H2,10,13)
InChIKeyPYBHNHHJJFSACH-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.43
Rot. Bonds1

About 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine

5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (PubChem CID 14685636) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.

Molecular Properties

Compound Name5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
PubChem CID14685636
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
SMILESNc1nc2ccnc(-c3cccs3)n2n1
InChIInChI=1S/C9H7N5S/c10-9-12-7-3-4-11-8(14(7)13-9)6-2-1-5-15-6/h1-5H,(H2,10,13)
InChIKeyPYBHNHHJJFSACH-UHFFFAOYSA-N
XLogP1.43
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The IUPAC name of 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine (CID 14685636) is 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine.
What is the SMILES notation for 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The canonical SMILES for 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is Nc1nc2ccnc(-c3cccs3)n2n1.
What is the InChIKey of 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
The InChIKey is PYBHNHHJJFSACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-9-12-7-3-4-11-8(14(7)13-9)6-2-1-5-15-6/h1-5H,(H2,10,13).
What are the key properties of 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine?
5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine has a molecular weight of 217.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine is sourced from PubChem (CID 14685636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).