N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine

C25H26N6O — CID 134836035

IUPACN-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine
SMILESc1ccc(CNC(c2ccc(N3CCOCC3)cc2)c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C25H26N6O/c1-3-7-20(8-4-1)19-26-24(25-27-28-29-31(25)23-9-5-2-6-10-23)21-11-13-22(14-12-21)30-15-17-32-18-16-30/h1-14,24,26H,15-19H2
InChIKeyCYFTZFKNWZJRFZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.38
Rot. Bonds7

About N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine

N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine (PubChem CID 134836035) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine
PubChem CID134836035
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine
SMILESc1ccc(CNC(c2ccc(N3CCOCC3)cc2)c2nnnn2-c2ccccc2)cc1
InChIInChI=1S/C25H26N6O/c1-3-7-20(8-4-1)19-26-24(25-27-28-29-31(25)23-9-5-2-6-10-23)21-11-13-22(14-12-21)30-15-17-32-18-16-30/h1-14,24,26H,15-19H2
InChIKeyCYFTZFKNWZJRFZ-UHFFFAOYSA-N
XLogP3.38
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine?
The IUPAC name of N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine (CID 134836035) is N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine?
The canonical SMILES for N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine is c1ccc(CNC(c2ccc(N3CCOCC3)cc2)c2nnnn2-c2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine?
The InChIKey is CYFTZFKNWZJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-3-7-20(8-4-1)19-26-24(25-27-28-29-31(25)23-9-5-2-6-10-23)21-11-13-22(14-12-21)30-15-17-32-18-16-30/h1-14,24,26H,15-19H2.
What are the key properties of N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine?
N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine has a molecular weight of 426.52 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-morpholin-4-ylphenyl)-1-(1-phenyltetrazol-5-yl)methanamine is sourced from PubChem (CID 134836035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).