4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

C8H6N6S — CID 62788288

IUPAC4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nnc3ncccn23)cs1
InChIInChI=1S/C8H6N6S/c9-7-11-5(4-15-7)6-12-13-8-10-2-1-3-14(6)8/h1-4H,(H2,9,11)
InChIKeyFXMHJUOAAMAGNN-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.83
Rot. Bonds1

About 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 62788288) has the molecular formula C8H6N6S and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID62788288
Molecular FormulaC8H6N6S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nnc3ncccn23)cs1
InChIInChI=1S/C8H6N6S/c9-7-11-5(4-15-7)6-12-13-8-10-2-1-3-14(6)8/h1-4H,(H2,9,11)
InChIKeyFXMHJUOAAMAGNN-UHFFFAOYSA-N
XLogP0.83
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 62788288) is 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is Nc1nc(-c2nnc3ncccn23)cs1.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is FXMHJUOAAMAGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N6S/c9-7-11-5(4-15-7)6-12-13-8-10-2-1-3-14(6)8/h1-4H,(H2,9,11).
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 218.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62788288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).