N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

C12H18N4 — CID 64547134

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESC1=CC2CC1CC2CNCCc1ncn[nH]1
InChIInChI=1S/C12H18N4/c1-2-10-5-9(1)6-11(10)7-13-4-3-12-14-8-15-16-12/h1-2,8-11,13H,3-7H2,(H,14,15,16)
InChIKeyHIMWDEPHCPICLF-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.15
Rot. Bonds5

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 64547134) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID64547134
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESC1=CC2CC1CC2CNCCc1ncn[nH]1
InChIInChI=1S/C12H18N4/c1-2-10-5-9(1)6-11(10)7-13-4-3-12-14-8-15-16-12/h1-2,8-11,13H,3-7H2,(H,14,15,16)
InChIKeyHIMWDEPHCPICLF-UHFFFAOYSA-N
XLogP1.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclohex-3-en-1-yl-1H-1,2,4-triazole
CID 91374929
5-cyclohex-2-en-1-yl-1H-1,2,4-triazole
CID 91378833
5-cyclohept-4-en-1-yl-1H-1,2,4-triazole
CID 142256716
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
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-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978475
N-(1H-1,2,4-triazol-5-ylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 60978477
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 60978479
1-cyclohex-3-en-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978759
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 61003876
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63329075

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine (CID 64547134) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is C1=CC2CC1CC2CNCCc1ncn[nH]1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is HIMWDEPHCPICLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-2-10-5-9(1)6-11(10)7-13-4-3-12-14-8-15-16-12/h1-2,8-11,13H,3-7H2,(H,14,15,16).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 64547134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).