N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine

C19H23N6O+ — CID 9023675

IUPACN-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NCc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N6O/c1-2-4-18(5-3-1)25-19(21-22-23-25)20-14-16-6-8-17(9-7-16)15-24-10-12-26-13-11-24/h1-9H,10-15H2,(H,20,21,23)/p+1
InChIKeyAAPDXHYNEUAKQJ-UHFFFAOYSA-O
MW351.43 g/mol
LogP0.69
Rot. Bonds6

About N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine

N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine (PubChem CID 9023675) has the molecular formula C19H23N6O+ and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine
PubChem CID9023675
Molecular FormulaC19H23N6O+
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC NameN-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NCc2ccc(C[NH+]3CCOCC3)cc2)cc1
InChIInChI=1S/C19H22N6O/c1-2-4-18(5-3-1)25-19(21-22-23-25)20-14-16-6-8-17(9-7-16)15-24-10-12-26-13-11-24/h1-9H,10-15H2,(H,20,21,23)/p+1
InChIKeyAAPDXHYNEUAKQJ-UHFFFAOYSA-O
XLogP0.69
TPSA69.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-(1-phenyltetrazol-5-yl)piperidin-1-ium-4-amine
CID 2561113
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-phenyltetrazol-5-amine
CID 133286987
N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1-phenyltetrazol-5-amine
CID 9449726
N-[(3-aminophenyl)methyl]-1-phenyltetrazol-5-amine
CID 62500427
4-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]morpholin-4-ium
CID 6935973
N-[[(3S)-oxolan-3-yl]methyl]-1-phenyltetrazol-5-amine
CID 93422505
N-[(4-methoxyoxan-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 133400034
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
N-[[(2S)-oxolan-2-yl]methyl]-1-phenyltetrazol-5-amine
CID 8001539
N-[(2-methylpyrimidin-4-yl)methyl]-1-phenyltetrazol-5-amine
CID 60967739
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethyl]morpholin-4-ium
CID 7436889

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine (CID 9023675) is N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NCc2ccc(C[NH+]3CCOCC3)cc2)cc1.
What is the InChIKey of N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine?
The InChIKey is AAPDXHYNEUAKQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N6O/c1-2-4-18(5-3-1)25-19(21-22-23-25)20-14-16-6-8-17(9-7-16)15-24-10-12-26-13-11-24/h1-9H,10-15H2,(H,20,21,23)/p+1.
What are the key properties of N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine?
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine has a molecular weight of 351.43 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 9023675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).