5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine

C15H25N5 — CID 169433103

IUPAC5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine
SMILESCCCCCCCCc1c(CC)n[13c]2n[13cH][15n][15n]2c1N
InChIInChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3/i11+1,15+1,18+1,20+1
InChIKeyGGKQIOFASHYUJZ-LAFGIURGSA-N
MW279.37 g/mol
LogP3.17
Rot. Bonds8

About 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine

5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine (PubChem CID 169433103) has the molecular formula C15H25N5 and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine
PubChem CID169433103
Molecular FormulaC15H25N5
Molecular Weight279.37 g/mol
Exact Mass279.21
IUPAC Name5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine
SMILESCCCCCCCCc1c(CC)n[13c]2n[13cH][15n][15n]2c1N
InChIInChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3/i11+1,15+1,18+1,20+1
InChIKeyGGKQIOFASHYUJZ-LAFGIURGSA-N
XLogP3.17
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine with MolForge

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Related Compounds

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
6-(2-phenylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 69226920
(7-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanol
CID 139369499
N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 141209103
4,5,6-trioctylpyrimidine
CID 91147699
4,5,6-tri(nonadecyl)pyrimidine
CID 91803097
2-amino-4-ethyl-5-hexyl-1H-pyrimidin-6-one
CID 136955171
5-ethyl-7-methylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 89393083
6-[[5-bromo-6-(3-fluoropropoxy)-2-pyridinyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 139376918
5-hexyl-2,3-dimethylimidazol-4-amine
CID 62226133
5-heptyl-3-methylimidazol-4-amine
CID 62081508

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine?
The IUPAC name of 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine (CID 169433103) is 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine is CCCCCCCCc1c(CC)n[13c]2n[13cH][15n][15n]2c1N.
What is the InChIKey of 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine?
The InChIKey is GGKQIOFASHYUJZ-LAFGIURGSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3/i11+1,15+1,18+1,20+1.
What are the key properties of 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine?
5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine has a molecular weight of 279.37 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-octyl-(3,5-13C2,1,2-15N2)[1,2,4]triazolo[1,5-a](213C,115N)pyrimidin-7-amine is sourced from PubChem (CID 169433103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).