1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine

C18H18Cl2N6O — CID 11509663

IUPAC1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2NCc2ccccc2N2CCOCC2)c1Cl
InChIInChI=1S/C18H18Cl2N6O/c19-14-5-3-7-16(17(14)20)26-18(22-23-24-26)21-12-13-4-1-2-6-15(13)25-8-10-27-11-9-25/h1-7H,8-12H2,(H,21,22,24)
InChIKeyRJINXHNDOYQAIH-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.42
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine (PubChem CID 11509663) has the molecular formula C18H18Cl2N6O and a molecular weight of 405.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
PubChem CID11509663
Molecular FormulaC18H18Cl2N6O
Molecular Weight405.29 g/mol
Exact Mass404.09
IUPAC Name1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
SMILESClc1cccc(-n2nnnc2NCc2ccccc2N2CCOCC2)c1Cl
InChIInChI=1S/C18H18Cl2N6O/c19-14-5-3-7-16(17(14)20)26-18(22-23-24-26)21-12-13-4-1-2-6-15(13)25-8-10-27-11-9-25/h1-7H,8-12H2,(H,21,22,24)
InChIKeyRJINXHNDOYQAIH-UHFFFAOYSA-N
XLogP3.42
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine (CID 11509663) is 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine is Clc1cccc(-n2nnnc2NCc2ccccc2N2CCOCC2)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine?
The InChIKey is RJINXHNDOYQAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O/c19-14-5-3-7-16(17(14)20)26-18(22-23-24-26)21-12-13-4-1-2-6-15(13)25-8-10-27-11-9-25/h1-7H,8-12H2,(H,21,22,24).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine has a molecular weight of 405.29 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 11509663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).