N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine

C19H21FN6O — CID 4786745

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine
SMILESFc1ccc(C(CNc2nnnn2-c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H21FN6O/c20-16-8-6-15(7-9-16)18(25-10-12-27-13-11-25)14-21-19-22-23-24-26(19)17-4-2-1-3-5-17/h1-9,18H,10-14H2,(H,21,22,24)
InChIKeyGJYLSHAATDKEFG-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine (PubChem CID 4786745) has the molecular formula C19H21FN6O and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine
PubChem CID4786745
Molecular FormulaC19H21FN6O
Molecular Weight368.42 g/mol
Exact Mass368.18
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine
SMILESFc1ccc(C(CNc2nnnn2-c2ccccc2)N2CCOCC2)cc1
InChIInChI=1S/C19H21FN6O/c20-16-8-6-15(7-9-16)18(25-10-12-27-13-11-25)14-21-19-22-23-24-26(19)17-4-2-1-3-5-17/h1-9,18H,10-14H2,(H,21,22,24)
InChIKeyGJYLSHAATDKEFG-UHFFFAOYSA-N
XLogP2.29
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine (CID 4786745) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine is Fc1ccc(C(CNc2nnnn2-c2ccccc2)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine?
The InChIKey is GJYLSHAATDKEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O/c20-16-8-6-15(7-9-16)18(25-10-12-27-13-11-25)14-21-19-22-23-24-26(19)17-4-2-1-3-5-17/h1-9,18H,10-14H2,(H,21,22,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine has a molecular weight of 368.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 4786745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).