N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine

C13H20N4 — CID 114095941

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESCCn1ncnc1CNC1C2C3CCC(C3)C12
InChIInChI=1S/C13H20N4/c1-2-17-10(15-7-16-17)6-14-13-11-8-3-4-9(5-8)12(11)13/h7-9,11-14H,2-6H2,1H3
InChIKeyPEXRYERAMXMDND-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.43
Rot. Bonds4

About N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine (PubChem CID 114095941) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
PubChem CID114095941
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine
SMILESCCn1ncnc1CNC1C2C3CCC(C3)C12
InChIInChI=1S/C13H20N4/c1-2-17-10(15-7-16-17)6-14-13-11-8-3-4-9(5-8)12(11)13/h7-9,11-14H,2-6H2,1H3
InChIKeyPEXRYERAMXMDND-UHFFFAOYSA-N
XLogP1.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine with MolForge

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanamine
CID 114097376
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
CID 82726489
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114123294
N-[(2-propyl-1,2,4-triazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720030
N-cyclopentyloxy-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 83228490
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025024
(3R,4S)-4-cyclopropyl-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 154897799
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
CID 79101247
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033831
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine (CID 114095941) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine is CCn1ncnc1CNC1C2C3CCC(C3)C12.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
The InChIKey is PEXRYERAMXMDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-2-17-10(15-7-16-17)6-14-13-11-8-3-4-9(5-8)12(11)13/h7-9,11-14H,2-6H2,1H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]tricyclo[3.2.1.02,4]octan-3-amine is sourced from PubChem (CID 114095941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).