4-(azidomethyl)-5-pentyl-2H-triazole

C8H14N6 — CID 134854977

IUPAC4-(azidomethyl)-5-pentyl-2H-triazole
SMILESCCCCCc1n[nH]nc1CN=[N+]=[N-]
InChIInChI=1S/C8H14N6/c1-2-3-4-5-7-8(6-10-13-9)12-14-11-7/h2-6H2,1H3,(H,11,12,14)
InChIKeyHZCGPHJCLHUXOD-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.35
Rot. Bonds6

About 4-(azidomethyl)-5-pentyl-2H-triazole

4-(azidomethyl)-5-pentyl-2H-triazole (PubChem CID 134854977) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(azidomethyl)-5-pentyl-2H-triazole.

Molecular Properties

Compound Name4-(azidomethyl)-5-pentyl-2H-triazole
PubChem CID134854977
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name4-(azidomethyl)-5-pentyl-2H-triazole
SMILESCCCCCc1n[nH]nc1CN=[N+]=[N-]
InChIInChI=1S/C8H14N6/c1-2-3-4-5-7-8(6-10-13-9)12-14-11-7/h2-6H2,1H3,(H,11,12,14)
InChIKeyHZCGPHJCLHUXOD-UHFFFAOYSA-N
XLogP2.35
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-5-pentyl-2H-triazole?
The IUPAC name of 4-(azidomethyl)-5-pentyl-2H-triazole (CID 134854977) is 4-(azidomethyl)-5-pentyl-2H-triazole.
What is the SMILES notation for 4-(azidomethyl)-5-pentyl-2H-triazole?
The canonical SMILES for 4-(azidomethyl)-5-pentyl-2H-triazole is CCCCCc1n[nH]nc1CN=[N+]=[N-].
What is the InChIKey of 4-(azidomethyl)-5-pentyl-2H-triazole?
The InChIKey is HZCGPHJCLHUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c1-2-3-4-5-7-8(6-10-13-9)12-14-11-7/h2-6H2,1H3,(H,11,12,14).
What are the key properties of 4-(azidomethyl)-5-pentyl-2H-triazole?
4-(azidomethyl)-5-pentyl-2H-triazole has a molecular weight of 194.24 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-5-pentyl-2H-triazole is sourced from PubChem (CID 134854977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).