[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine

C13H20N4 — CID 112593193

IUPAC[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(C2CC3CCC2C3)n1C1CC1
InChIInChI=1S/C13H20N4/c14-7-12-15-16-13(17(12)10-3-4-10)11-6-8-1-2-9(11)5-8/h8-11H,1-7,14H2
InChIKeyIQQQKIYCPSLKJS-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.98
Rot. Bonds3

About [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine

[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593193) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
PubChem CID112593193
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
SMILESNCc1nnc(C2CC3CCC2C3)n1C1CC1
InChIInChI=1S/C13H20N4/c14-7-12-15-16-13(17(12)10-3-4-10)11-6-8-1-2-9(11)5-8/h8-11H,1-7,14H2
InChIKeyIQQQKIYCPSLKJS-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[5-(2-bicyclo[2.2.1]heptanyl)-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 112593751
(5-cycloheptyl-4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 112593244
3-(2-bicyclo[2.2.1]heptanyl)-5-(bromomethyl)-4-methyl-1,2,4-triazole
CID 115399854
[5-(1-adamantylmethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine
CID 115944058
[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114877746
[5-(2-bicyclo[2.2.1]heptanyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 113301473
4-[5-(2-bicyclo[2.2.1]heptanyl)tetrazol-1-yl]butan-1-amine
CID 114182246
3-(chloromethyl)-4-cyclopropyl-5-(2-methylcyclopentyl)-1,2,4-triazole
CID 107186376
[4-cyclopropyl-5-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methanamine
CID 112593153
(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
CID 112593130
[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040056
[4-cyclopropyl-5-(3,4-dimethylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593096

Frequently Asked Questions

What is the IUPAC name of [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine (CID 112593193) is [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine is NCc1nnc(C2CC3CCC2C3)n1C1CC1.
What is the InChIKey of [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is IQQQKIYCPSLKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-7-12-15-16-13(17(12)10-3-4-10)11-6-8-1-2-9(11)5-8/h8-11H,1-7,14H2.
What are the key properties of [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 232.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).