N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine

C9H12N4 — CID 3438127

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine
SMILESC1=CC2CC1CC2Nc1ncn[nH]1
InChIInChI=1S/C9H12N4/c1-2-7-3-6(1)4-8(7)12-9-10-5-11-13-9/h1-2,5-8H,3-4H2,(H2,10,11,12,13)
InChIKeyVFYSEQGRFRSJHW-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.18
Rot. Bonds2

About N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine

N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine (PubChem CID 3438127) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine
PubChem CID3438127
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine
SMILESC1=CC2CC1CC2Nc1ncn[nH]1
InChIInChI=1S/C9H12N4/c1-2-7-3-6(1)4-8(7)12-9-10-5-11-13-9/h1-2,5-8H,3-4H2,(H2,10,11,12,13)
InChIKeyVFYSEQGRFRSJHW-UHFFFAOYSA-N
XLogP1.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine (CID 3438127) is N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine is C1=CC2CC1CC2Nc1ncn[nH]1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine?
The InChIKey is VFYSEQGRFRSJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-7-3-6(1)4-8(7)12-9-10-5-11-13-9/h1-2,5-8H,3-4H2,(H2,10,11,12,13).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine?
N-(2-bicyclo[2.2.1]hept-5-enyl)-1H-1,2,4-triazol-5-amine has a molecular weight of 176.22 g/mol, XLogP of 1.18, 2 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-enyl)-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 3438127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).