N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine

C15H15N5O — CID 64974352

IUPACN-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine
SMILESc1ccc(CONCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H15N5O/c1-3-7-13(8-4-1)12-21-16-11-15-17-18-19-20(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyIUEGPJGTJRLUEJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.88
Rot. Bonds6

About N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine

N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine (PubChem CID 64974352) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine
PubChem CID64974352
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine
SMILESc1ccc(CONCc2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C15H15N5O/c1-3-7-13(8-4-1)12-21-16-11-15-17-18-19-20(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChIKeyIUEGPJGTJRLUEJ-UHFFFAOYSA-N
XLogP1.88
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
The IUPAC name of N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine (CID 64974352) is N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine.
What is the SMILES notation for N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
The canonical SMILES for N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine is c1ccc(CONCc2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
The InChIKey is IUEGPJGTJRLUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-3-7-13(8-4-1)12-21-16-11-15-17-18-19-20(15)14-9-5-2-6-10-14/h1-10,16H,11-12H2.
What are the key properties of N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine?
N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine has a molecular weight of 281.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1-(1-phenyltetrazol-5-yl)methanamine is sourced from PubChem (CID 64974352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).