1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine

C16H24N4 — CID 43791507

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CC2C=CC1C2)c1nnc2n1CCC2
InChIInChI=1S/C16H24N4/c1-10(14-9-12-5-6-13(14)8-12)17-11(2)16-19-18-15-4-3-7-20(15)16/h5-6,10-14,17H,3-4,7-9H2,1-2H3
InChIKeyNQJNHNNCTQAJPI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.48
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine (PubChem CID 43791507) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
PubChem CID43791507
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine
SMILESCC(NC(C)C1CC2C=CC1C2)c1nnc2n1CCC2
InChIInChI=1S/C16H24N4/c1-10(14-9-12-5-6-13(14)8-12)17-11(2)16-19-18-15-4-3-7-20(15)16/h5-6,10-14,17H,3-4,7-9H2,1-2H3
InChIKeyNQJNHNNCTQAJPI-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine with MolForge

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748037
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43783874
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43783889
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43791290
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43791501
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 43791503
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 54895807
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 61003876
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63332635
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(3-ethyl-1,2,4-triazol-4-yl)ethanamine
CID 71922638
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 71973279
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-methylpropan-1-amine
CID 75377977

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine (CID 43791507) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine is CC(NC(C)C1CC2C=CC1C2)c1nnc2n1CCC2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
The InChIKey is NQJNHNNCTQAJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-10(14-9-12-5-6-13(14)8-12)17-11(2)16-19-18-15-4-3-7-20(15)16/h5-6,10-14,17H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine has a molecular weight of 272.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43791507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).