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

C15H25N5 — CID 141209103

IUPACN-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1cc(NCC)n2ncnc2n1
InChIInChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-13-11-14(16-4-2)20-15(19-13)17-12-18-20/h11-12,16H,3-10H2,1-2H3
InChIKeyNVXREDSXJLWJDQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.46
Rot. Bonds9

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

N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 141209103) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID141209103
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCCCCc1cc(NCC)n2ncnc2n1
InChIInChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-13-11-14(16-4-2)20-15(19-13)17-12-18-20/h11-12,16H,3-10H2,1-2H3
InChIKeyNVXREDSXJLWJDQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86808876
5-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 86772190
N-(1-cyclopropylethyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71937878
N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154736482
N-(2,4-difluorophenyl)-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3227278
5-ethyl-N-(2H-tetrazol-5-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154743615
N-[1-(cyclopentylmethyl)piperidin-4-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 128953223
5-ethyl-N-[3-(4-methoxyphenyl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133270243
N-(5-butyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,4-trimethoxybenzamide
CID 139734102
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95303544
N-(2-cyclopropylethyl)-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324314
2,6-diheptyl-4-propylpyridine
CID 91426264

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 141209103) is N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCCCCCCCc1cc(NCC)n2ncnc2n1.
What is the InChIKey of N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NVXREDSXJLWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-13-11-14(16-4-2)20-15(19-13)17-12-18-20/h11-12,16H,3-10H2,1-2H3.
What are the key properties of N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 275.40 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 141209103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).