1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine

C16H17N5 — CID 2480572

IUPAC1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine
SMILESc1ccc(CCCNc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H17N5/c1-3-8-14(9-4-1)10-7-13-17-16-18-19-20-21(16)15-11-5-2-6-12-15/h1-6,8-9,11-12H,7,10,13H2,(H,17,18,20)
InChIKeyIGLBCBSWBIFLDG-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.71
Rot. Bonds6

About 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine

1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine (PubChem CID 2480572) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine
PubChem CID2480572
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine
SMILESc1ccc(CCCNc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C16H17N5/c1-3-8-14(9-4-1)10-7-13-17-16-18-19-20-21(16)15-11-5-2-6-12-15/h1-6,8-9,11-12H,7,10,13H2,(H,17,18,20)
InChIKeyIGLBCBSWBIFLDG-UHFFFAOYSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine?
The IUPAC name of 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine (CID 2480572) is 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine.
What is the SMILES notation for 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine?
The canonical SMILES for 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine is c1ccc(CCCNc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine?
The InChIKey is IGLBCBSWBIFLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-8-14(9-4-1)10-7-13-17-16-18-19-20-21(16)15-11-5-2-6-12-15/h1-6,8-9,11-12H,7,10,13H2,(H,17,18,20).
What are the key properties of 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine?
1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine has a molecular weight of 279.35 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-phenylpropyl)tetrazol-5-amine is sourced from PubChem (CID 2480572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).