6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C9H7N5S — CID 1476959

IUPAC6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccsc2)cnc2ncnn12
InChIInChI=1S/C9H7N5S/c10-8-7(6-1-2-15-4-6)3-11-9-12-5-13-14(8)9/h1-5H,10H2
InChIKeyVFCZVCMCVRHJPB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.43
Rot. Bonds1

About 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 1476959) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID1476959
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(-c2ccsc2)cnc2ncnn12
InChIInChI=1S/C9H7N5S/c10-8-7(6-1-2-15-4-6)3-11-9-12-5-13-14(8)9/h1-5H,10H2
InChIKeyVFCZVCMCVRHJPB-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 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 1476959) is 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1c(-c2ccsc2)cnc2ncnn12.
What is the InChIKey of 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VFCZVCMCVRHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-8-7(6-1-2-15-4-6)3-11-9-12-5-13-14(8)9/h1-5H,10H2.
What are the key properties of 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-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 6-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 1476959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).