N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C15H25N5 — CID 172859549

IUPACN-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCCC(CC)CCCCNc1nc2ncccn2n1
InChIInChI=1S/C15H25N5/c1-3-8-13(4-2)9-5-6-10-16-14-18-15-17-11-7-12-20(15)19-14/h7,11-13H,3-6,8-10H2,1-2H3,(H,16,19)
InChIKeyZDYNJNGWQGSXJC-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.53
Rot. Bonds9

About N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 172859549) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID172859549
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCCCC(CC)CCCCNc1nc2ncccn2n1
InChIInChI=1S/C15H25N5/c1-3-8-13(4-2)9-5-6-10-16-14-18-15-17-11-7-12-20(15)19-14/h7,11-13H,3-6,8-10H2,1-2H3,(H,16,19)
InChIKeyZDYNJNGWQGSXJC-UHFFFAOYSA-N
XLogP3.53
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.53
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 N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 172859549) is N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CCCC(CC)CCCCNc1nc2ncccn2n1.
What is the InChIKey of N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZDYNJNGWQGSXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-8-13(4-2)9-5-6-10-16-14-18-15-17-11-7-12-20(15)19-14/h7,11-13H,3-6,8-10H2,1-2H3,(H,16,19).
What are the key properties of N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyloctyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 172859549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).