1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine

C16H15ClN6O2 — CID 1227621

IUPAC1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
SMILESCOc1cccc(C=Nn2nnnc2N)c1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClN6O2/c1-24-14-8-4-6-11(9-19-23-16(18)20-21-22-23)15(14)25-10-12-5-2-3-7-13(12)17/h2-9H,10H2,1H3,(H2,18,20,22)
InChIKeyOUKKCKOGGVBSCZ-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.38
Rot. Bonds6

About 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine

1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine (PubChem CID 1227621) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine.

Molecular Properties

Compound Name1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
PubChem CID1227621
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine
SMILESCOc1cccc(C=Nn2nnnc2N)c1OCc1ccccc1Cl
InChIInChI=1S/C16H15ClN6O2/c1-24-14-8-4-6-11(9-19-23-16(18)20-21-22-23)15(14)25-10-12-5-2-3-7-13(12)17/h2-9H,10H2,1H3,(H2,18,20,22)
InChIKeyOUKKCKOGGVBSCZ-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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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The IUPAC name of 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine (CID 1227621) is 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine.
What is the SMILES notation for 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The canonical SMILES for 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine is COc1cccc(C=Nn2nnnc2N)c1OCc1ccccc1Cl.
What is the InChIKey of 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
The InChIKey is OUKKCKOGGVBSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-24-14-8-4-6-11(9-19-23-16(18)20-21-22-23)15(14)25-10-12-5-2-3-7-13(12)17/h2-9H,10H2,1H3,(H2,18,20,22).
What are the key properties of 1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine?
1-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]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-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]tetrazol-5-amine is sourced from PubChem (CID 1227621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).