6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

C11H16N4 — CID 166885205

IUPAC6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC(C)c1cn2cnnc2nc1C(C)C
InChIInChI=1S/C11H16N4/c1-7(2)9-5-15-6-12-14-11(15)13-10(9)8(3)4/h5-8H,1-4H3
InChIKeyIYZJPHYQNQPXFE-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.37
Rot. Bonds2

About 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine

6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 166885205) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID166885205
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC(C)c1cn2cnnc2nc1C(C)C
InChIInChI=1S/C11H16N4/c1-7(2)9-5-15-6-12-14-11(15)13-10(9)8(3)4/h5-8H,1-4H3
InChIKeyIYZJPHYQNQPXFE-UHFFFAOYSA-N
XLogP2.37
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine (CID 166885205) is 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is CC(C)c1cn2cnnc2nc1C(C)C.
What is the InChIKey of 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is IYZJPHYQNQPXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)9-5-15-6-12-14-11(15)13-10(9)8(3)4/h5-8H,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine?
6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 166885205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).