5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C15H25N5 — CID 15604010

IUPAC5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1c(CC)nc2ncnn2c1N
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
InChIKeyGGKQIOFASHYUJZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds8

About 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 15604010) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID15604010
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1c(CC)nc2ncnn2c1N
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
InChIKeyGGKQIOFASHYUJZ-UHFFFAOYSA-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 ≤ 500275.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 15604010) is 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCCCCc1c(CC)nc2ncnn2c1N.
What is the InChIKey of 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GGKQIOFASHYUJZ-UHFFFAOYSA-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.
What are the key properties of 5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 275.40 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-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 15604010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).