1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine

C20H18N6O2 — CID 6164392

IUPAC1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
SMILESCOc1ccc(/C=N\n2nnnc2Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H18N6O2/c1-27-18-11-10-14(12-19(18)28-2)13-21-26-20(23-24-25-26)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,22,23,25)/b21-13-
InChIKeyDUFGFQQYJORPQQ-BKUYFWCQSA-N
MW374.40 g/mol
LogP3.47
Rot. Bonds6

About 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine

1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine (PubChem CID 6164392) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine.

Molecular Properties

Compound Name1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
PubChem CID6164392
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
SMILESCOc1ccc(/C=N\n2nnnc2Nc2cccc3ccccc23)cc1OC
InChIInChI=1S/C20H18N6O2/c1-27-18-11-10-14(12-19(18)28-2)13-21-26-20(23-24-25-26)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,22,23,25)/b21-13-
InChIKeyDUFGFQQYJORPQQ-BKUYFWCQSA-N
XLogP3.47
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methylphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 23959036
1-[(Z)-(3-bromophenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine
CID 5499247
N-phenyl-1-[(3,4,5-trimethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1224695
2-[(E)-(5-anilinotetrazol-1-yl)iminomethyl]-6-methoxyphenol
CID 135951033
1-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-N-phenyltetrazol-5-amine
CID 23877559
2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 6858847
1-butyl-N-naphthalen-1-yltetrazol-5-amine
CID 165418883
4-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione
CID 8002393
2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide
CID 168592112
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinolin-8-amine
CID 171981198
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
CID 1285947
N-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 3874837

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The IUPAC name of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine (CID 6164392) is 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine.
What is the SMILES notation for 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The canonical SMILES for 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine is COc1ccc(/C=N\n2nnnc2Nc2cccc3ccccc23)cc1OC.
What is the InChIKey of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
The InChIKey is DUFGFQQYJORPQQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-27-18-11-10-14(12-19(18)28-2)13-21-26-20(23-24-25-26)22-17-9-5-7-15-6-3-4-8-16(15)17/h3-13H,1-2H3,(H,22,23,25)/b21-13-.
What are the key properties of 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine?
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine has a molecular weight of 374.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-naphthalen-1-yltetrazol-5-amine is sourced from PubChem (CID 6164392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).