4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine

C6H8N6 — CID 169461227

IUPAC4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine
SMILES[N-]=[N+]=NCC=Cc1cn[nH]c1N
InChIInChI=1S/C6H8N6/c7-6-5(4-10-11-6)2-1-3-9-12-8/h1-2,4H,3H2,(H3,7,10,11)
InChIKeyAMBVPUWRWMMMBN-UHFFFAOYSA-N
MW164.17 g/mol
LogP1.32
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine

4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine (PubChem CID 169461227) has the molecular formula C6H8N6 and a molecular weight of 164.17 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine
PubChem CID169461227
Molecular FormulaC6H8N6
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine
SMILES[N-]=[N+]=NCC=Cc1cn[nH]c1N
InChIInChI=1S/C6H8N6/c7-6-5(4-10-11-6)2-1-3-9-12-8/h1-2,4H,3H2,(H3,7,10,11)
InChIKeyAMBVPUWRWMMMBN-UHFFFAOYSA-N
XLogP1.32
TPSA103.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine (CID 169461227) is 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine is [N-]=[N+]=NCC=Cc1cn[nH]c1N.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine?
The InChIKey is AMBVPUWRWMMMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6/c7-6-5(4-10-11-6)2-1-3-9-12-8/h1-2,4H,3H2,(H3,7,10,11).
What are the key properties of 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine?
4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine has a molecular weight of 164.17 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 169461227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).