1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine

C9H7N5S — CID 61175252

IUPAC1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine
SMILESNc1cnn(-c2ncnc3ccsc23)c1
InChIInChI=1S/C9H7N5S/c10-6-3-13-14(4-6)9-8-7(1-2-15-8)11-5-12-9/h1-5H,10H2
InChIKeyNNWGIXLHNOKAOU-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds1

About 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine

1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine (PubChem CID 61175252) has the molecular formula C9H7N5S and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine
PubChem CID61175252
Molecular FormulaC9H7N5S
Molecular Weight217.26 g/mol
Exact Mass217.04
IUPAC Name1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine
SMILESNc1cnn(-c2ncnc3ccsc23)c1
InChIInChI=1S/C9H7N5S/c10-6-3-13-14(4-6)9-8-7(1-2-15-8)11-5-12-9/h1-5H,10H2
InChIKeyNNWGIXLHNOKAOU-UHFFFAOYSA-N
XLogP1.46
TPSA69.62 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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine?
The IUPAC name of 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine (CID 61175252) is 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine.
What is the SMILES notation for 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine?
The canonical SMILES for 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine is Nc1cnn(-c2ncnc3ccsc23)c1.
What is the InChIKey of 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine?
The InChIKey is NNWGIXLHNOKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5S/c10-6-3-13-14(4-6)9-8-7(1-2-15-8)11-5-12-9/h1-5H,10H2.
What are the key properties of 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine?
1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine has a molecular weight of 217.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[3,2-d]pyrimidin-4-ylpyrazol-4-amine is sourced from PubChem (CID 61175252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).