1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine

C13H20N4 — CID 79549769

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(CC2CC3CCC2C3)c1C1CC1
InChIInChI=1S/C13H20N4/c14-13-12(9-3-4-9)17(16-15-13)7-11-6-8-1-2-10(11)5-8/h8-11H,1-7,14H2
InChIKeyCPTOEHODTOKWMR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.17
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine (PubChem CID 79549769) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine
PubChem CID79549769
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine
SMILESNc1nnn(CC2CC3CCC2C3)c1C1CC1
InChIInChI=1S/C13H20N4/c14-13-12(9-3-4-9)17(16-15-13)7-11-6-8-1-2-10(11)5-8/h8-11H,1-7,14H2
InChIKeyCPTOEHODTOKWMR-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine (CID 79549769) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine is Nc1nnn(CC2CC3CCC2C3)c1C1CC1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine?
The InChIKey is CPTOEHODTOKWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-13-12(9-3-4-9)17(16-15-13)7-11-6-8-1-2-10(11)5-8/h8-11H,1-7,14H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine?
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-cyclopropyltriazol-4-amine has a molecular weight of 232.33 g/mol, XLogP of 2.17, 3 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]heptanylmethyl)-5-cyclopropyltriazol-4-amine is sourced from PubChem (CID 79549769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).