6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5 — CID 69226920

IUPAC6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1nc2ncnn2c(N)c1CCc1ccccc1
InChIInChI=1S/C16H19N5/c1-2-6-14-13(10-9-12-7-4-3-5-8-12)15(17)21-16(20-14)18-11-19-21/h3-5,7-8,11H,2,6,9-10,17H2,1H3
InChIKeyOHQXXCNNJYDJCM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.44
Rot. Bonds5

About 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 69226920) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID69226920
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCc1nc2ncnn2c(N)c1CCc1ccccc1
InChIInChI=1S/C16H19N5/c1-2-6-14-13(10-9-12-7-4-3-5-8-12)15(17)21-16(20-14)18-11-19-21/h3-5,7-8,11H,2,6,9-10,17H2,1H3
InChIKeyOHQXXCNNJYDJCM-UHFFFAOYSA-N
XLogP2.44
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine
CID 169433103
5-(methoxymethyl)-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 11522134
6-octyl-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69499706
5-methyl-N-phenyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22433942
6-benzyl-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 6501344
6-phenyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69361247
3-benzyl-2-ethyl-5-propylimidazol-4-amine
CID 55048826
6-(4-methylpentyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69362070
2-[[5-(diethylamino)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-yl]-(2-phenylethyl)amino]ethanol
CID 139318292
6-[2-(5-benzyl-1H-1,2,4-triazol-3-yl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50955589
13-ethyl-8-(2-phenylethoxy)-2,3,5,7,11,13,14-heptazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,7,9,11,14-heptaene
CID 22758527
3-butyl-2-ethyl-5-(2-phenylethyl)imidazol-4-amine
CID 62881439

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 69226920) is 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCc1nc2ncnn2c(N)c1CCc1ccccc1.
What is the InChIKey of 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OHQXXCNNJYDJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-6-14-13(10-9-12-7-4-3-5-8-12)15(17)21-16(20-14)18-11-19-21/h3-5,7-8,11H,2,6,9-10,17H2,1H3.
What are the key properties of 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 281.36 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 69226920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).