1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine

C17H26N4 — CID 79537398

IUPAC1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(CCC23CC4CC(CC(C4)C2)C3)c1C1CC1
InChIInChI=1S/C17H26N4/c18-16-15(14-1-2-14)21(20-19-16)4-3-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10,18H2
InChIKeyJXLCFEAAGVZGLJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine

1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine (PubChem CID 79537398) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine
PubChem CID79537398
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(CCC23CC4CC(CC(C4)C2)C3)c1C1CC1
InChIInChI=1S/C17H26N4/c18-16-15(14-1-2-14)21(20-19-16)4-3-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10,18H2
InChIKeyJXLCFEAAGVZGLJ-UHFFFAOYSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine?
The IUPAC name of 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine (CID 79537398) is 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine is Nc1nnn(CCC23CC4CC(CC(C4)C2)C3)c1C1CC1.
What is the InChIKey of 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine?
The InChIKey is JXLCFEAAGVZGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c18-16-15(14-1-2-14)21(20-19-16)4-3-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-14H,1-10,18H2.
What are the key properties of 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine?
1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine has a molecular weight of 286.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)ethyl]-5-cyclopropyltriazol-4-amine is sourced from PubChem (CID 79537398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).