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

C16H17N5 — CID 1477915

IUPAC5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2nc(N)nn2c(C)c1CC=Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-11-14(10-6-9-13-7-4-3-5-8-13)12(2)21-16(18-11)19-15(17)20-21/h3-9H,10H2,1-2H3,(H2,17,20)
InChIKeyUANGGBODASIPBX-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.58
Rot. Bonds3

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

5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 1477915) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID1477915
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCc1nc2nc(N)nn2c(C)c1CC=Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-11-14(10-6-9-13-7-4-3-5-8-13)12(2)21-16(18-11)19-15(17)20-21/h3-9H,10H2,1-2H3,(H2,17,20)
InChIKeyUANGGBODASIPBX-UHFFFAOYSA-N
XLogP2.58
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 1477915) is 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is Cc1nc2nc(N)nn2c(C)c1CC=Cc1ccccc1.
What is the InChIKey of 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is UANGGBODASIPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-14(10-6-9-13-7-4-3-5-8-13)12(2)21-16(18-11)19-15(17)20-21/h3-9H,10H2,1-2H3,(H2,17,20).
What are the key properties of 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 279.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(3-phenylprop-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 1477915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).