N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine

C15H16N6 — CID 133394862

IUPACN-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESC=CCCC(Nc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C15H16N6/c1-2-3-9-13(12-7-5-4-6-8-12)16-14-10-11-15-17-19-20-21(15)18-14/h2,4-8,10-11,13H,1,3,9H2,(H,16,18)
InChIKeyRMLAJMWUVOTQJR-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.64
Rot. Bonds6

About N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine

N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 133394862) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID133394862
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC NameN-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine
SMILESC=CCCC(Nc1ccc2nnnn2n1)c1ccccc1
InChIInChI=1S/C15H16N6/c1-2-3-9-13(12-7-5-4-6-8-12)16-14-10-11-15-17-19-20-21(15)18-14/h2,4-8,10-11,13H,1,3,9H2,(H,16,18)
InChIKeyRMLAJMWUVOTQJR-UHFFFAOYSA-N
XLogP2.64
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine (CID 133394862) is N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine is C=CCCC(Nc1ccc2nnnn2n1)c1ccccc1.
What is the InChIKey of N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is RMLAJMWUVOTQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-2-3-9-13(12-7-5-4-6-8-12)16-14-10-11-15-17-19-20-21(15)18-14/h2,4-8,10-11,13H,1,3,9H2,(H,16,18).
What are the key properties of N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine?
N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 280.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpent-4-enyl)tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 133394862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).