1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine

C17H28N4 — CID 130183251

IUPAC1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine
SMILESCCCN(CC)c1cn(C23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C17H28N4/c1-3-5-20(4-2)16-12-21(19-18-16)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,3-11H2,1-2H3
InChIKeyRNESIZYHMOPSKB-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.44
Rot. Bonds5

About 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine

1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine (PubChem CID 130183251) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine
PubChem CID130183251
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine
SMILESCCCN(CC)c1cn(C23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C17H28N4/c1-3-5-20(4-2)16-12-21(19-18-16)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,3-11H2,1-2H3
InChIKeyRNESIZYHMOPSKB-UHFFFAOYSA-N
XLogP3.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine?
The IUPAC name of 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine (CID 130183251) is 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine.
What is the SMILES notation for 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine?
The canonical SMILES for 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine is CCCN(CC)c1cn(C23CC4CC(CC(C4)C2)C3)nn1.
What is the InChIKey of 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine?
The InChIKey is RNESIZYHMOPSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-5-20(4-2)16-12-21(19-18-16)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine?
1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine is sourced from PubChem (CID 130183251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).