5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C16H16N4 — CID 1477902

IUPAC5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(C)c1C/C=C/c1ccccc1
InChIInChI=1S/C16H16N4/c1-12-15(10-6-9-14-7-4-3-5-8-14)13(2)20-16(19-12)17-11-18-20/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeySMQAXVDKFRPEMS-RMKNXTFCSA-N
MW264.33 g/mol
LogP3.00
Rot. Bonds3

About 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 1477902) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID1477902
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1nc2ncnn2c(C)c1C/C=C/c1ccccc1
InChIInChI=1S/C16H16N4/c1-12-15(10-6-9-14-7-4-3-5-8-14)13(2)20-16(19-12)17-11-18-20/h3-9,11H,10H2,1-2H3/b9-6+
InChIKeySMQAXVDKFRPEMS-RMKNXTFCSA-N
XLogP3.00
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 1477902) is 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1nc2ncnn2c(C)c1C/C=C/c1ccccc1.
What is the InChIKey of 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SMQAXVDKFRPEMS-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H16N4/c1-12-15(10-6-9-14-7-4-3-5-8-14)13(2)20-16(19-12)17-11-18-20/h3-9,11H,10H2,1-2H3/b9-6+.
What are the key properties of 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 264.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-[(E)-3-phenylprop-2-enyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1477902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).