1-(1-adamantyl)-4-prop-2-enyltriazole

C15H21N3 — CID 147859099

IUPAC1-(1-adamantyl)-4-prop-2-enyltriazole
SMILESC=CCc1cn(C23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C15H21N3/c1-2-3-14-10-18(17-16-14)15-7-11-4-12(8-15)6-13(5-11)9-15/h2,10-13H,1,3-9H2
InChIKeyHWIBBCDOLMDHTM-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds3

About 1-(1-adamantyl)-4-prop-2-enyltriazole

1-(1-adamantyl)-4-prop-2-enyltriazole (PubChem CID 147859099) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(1-adamantyl)-4-prop-2-enyltriazole.

Molecular Properties

Compound Name1-(1-adamantyl)-4-prop-2-enyltriazole
PubChem CID147859099
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(1-adamantyl)-4-prop-2-enyltriazole
SMILESC=CCc1cn(C23CC4CC(CC(C4)C2)C3)nn1
InChIInChI=1S/C15H21N3/c1-2-3-14-10-18(17-16-14)15-7-11-4-12(8-15)6-13(5-11)9-15/h2,10-13H,1,3-9H2
InChIKeyHWIBBCDOLMDHTM-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(1-adamantyl)triazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 59322103
(2R,3R,4S,5S,6R)-2-[[1-(1-adamantyl)triazol-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44610848
1-(1-adamantyl)-N-ethyl-N-propyltriazol-4-amine
CID 130183251
ethyl 3-[1-(1-adamantyl)triazol-4-yl]-2-diethoxyphosphorylpropanoate
CID 102417879
1-phenyl-4-prop-2-enyltriazole
CID 70124249
1-(1-adamantyl)-4-methylpyrazole
CID 142764574
1-prop-2-enyladamantane
CID 10954060
1-[1-[2-(1-adamantyl)ethyl]triazol-4-yl]-N-methylmethanamine
CID 66216658
1-(1-adamantyl)tetrazol-5-amine
CID 23008813
(1-prop-2-enyltriazol-4-yl)methanol
CID 82204783
4-(methylsulfonylmethyl)-1-prop-2-enyltriazole
CID 82204813
[5-(1-adamantylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315646

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-4-prop-2-enyltriazole?
The IUPAC name of 1-(1-adamantyl)-4-prop-2-enyltriazole (CID 147859099) is 1-(1-adamantyl)-4-prop-2-enyltriazole.
What is the SMILES notation for 1-(1-adamantyl)-4-prop-2-enyltriazole?
The canonical SMILES for 1-(1-adamantyl)-4-prop-2-enyltriazole is C=CCc1cn(C23CC4CC(CC(C4)C2)C3)nn1.
What is the InChIKey of 1-(1-adamantyl)-4-prop-2-enyltriazole?
The InChIKey is HWIBBCDOLMDHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-14-10-18(17-16-14)15-7-11-4-12(8-15)6-13(5-11)9-15/h2,10-13H,1,3-9H2.
What are the key properties of 1-(1-adamantyl)-4-prop-2-enyltriazole?
1-(1-adamantyl)-4-prop-2-enyltriazole has a molecular weight of 243.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-4-prop-2-enyltriazole is sourced from PubChem (CID 147859099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).