N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine

C17H18N6O3 — CID 1224695

IUPACN-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(C=Nn2nnnc2Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18N6O3/c1-24-14-9-12(10-15(25-2)16(14)26-3)11-18-23-17(20-21-22-23)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,22)
InChIKeyYXIYBCGMIIPAHZ-UHFFFAOYSA-N
MW354.37 g/mol
LogP2.32
Rot. Bonds7

About N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine

N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 1224695) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound NameN-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID1224695
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC NameN-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(C=Nn2nnnc2Nc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C17H18N6O3/c1-24-14-9-12(10-15(25-2)16(14)26-3)11-18-23-17(20-21-22-23)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,22)
InChIKeyYXIYBCGMIIPAHZ-UHFFFAOYSA-N
XLogP2.32
TPSA95.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-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-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine
CID 23877559
2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol
CID 135951033
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 6164392
(E)-N-(3,5-diphenyl-1,2,4-triazol-4-yl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 11647302
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1285947
3-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-5H-triazino[5,4-b]indol-4-one
CID 135778046
1-[1-(4-methoxyphenyl)ethylideneamino]-N-phenyltetrazol-5-amine
CID 23961359
1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 23959036
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 23849524
8-fluoro-N-phenyl-6-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 163365942
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]acetonitrile
CID 51682446
4-N,6-N-bis(4-methylphenyl)-2-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3720446

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 1224695) is N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine is COc1cc(C=Nn2nnnc2Nc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is YXIYBCGMIIPAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-24-14-9-12(10-15(25-2)16(14)26-3)11-18-23-17(20-21-22-23)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,20,22).
What are the key properties of N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine?
N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 354.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 1224695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).