1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine

C16H15ClN6O2 — CID 1285947

IUPAC1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(C=Nn2nnnc2N)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H15ClN6O2/c1-24-14-8-12(9-19-23-16(18)20-21-22-23)7-13(17)15(14)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,20,22)
InChIKeyGOWITFZPSLUUIF-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.38
Rot. Bonds6

About 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine

1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine (PubChem CID 1285947) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
PubChem CID1285947
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine
SMILESCOc1cc(C=Nn2nnnc2N)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H15ClN6O2/c1-24-14-8-12(9-19-23-16(18)20-21-22-23)7-13(17)15(14)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,20,22)
InChIKeyGOWITFZPSLUUIF-UHFFFAOYSA-N
XLogP2.38
TPSA100.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.38
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

2-[4-[(E)-(5-aminotetrazol-1-yl)iminomethyl]-2-chloro-6-methoxyphenoxy]acetonitrile
CID 51682446
(Z)-1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 21381459
1-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylideneamino]tetrazol-5-amine
CID 23849524
1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
CID 1227621
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
1-[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 1348402
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406
6-bromo-3-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126282870
(E)-1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6860105
5-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599440
(Z)-1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9398219
N-[[3-chloro-5-methoxy-4-(3-phenylpropoxy)phenyl]methylidene]hydroxylamine
CID 22686123

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine (CID 1285947) is 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine is COc1cc(C=Nn2nnnc2N)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
The InChIKey is GOWITFZPSLUUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-24-14-8-12(9-19-23-16(18)20-21-22-23)7-13(17)15(14)25-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,18,20,22).
What are the key properties of 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine?
1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine has a molecular weight of 358.79 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 1285947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).