N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine

C20H17FN6O — CID 133274465

IUPACN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCc2ccc(Oc3cccnc3)c(F)c2)cc1
InChIInChI=1S/C20H17FN6O/c1-14-4-7-16(8-5-14)27-20(24-25-26-27)23-12-15-6-9-19(18(21)11-15)28-17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,24,26)
InChIKeyZVCWSYLCJXTFNV-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.91
Rot. Bonds6

About N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine (PubChem CID 133274465) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine
PubChem CID133274465
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2NCc2ccc(Oc3cccnc3)c(F)c2)cc1
InChIInChI=1S/C20H17FN6O/c1-14-4-7-16(8-5-14)27-20(24-25-26-27)23-12-15-6-9-19(18(21)11-15)28-17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,24,26)
InChIKeyZVCWSYLCJXTFNV-UHFFFAOYSA-N
XLogP3.91
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-phenylpyridazin-3-one
CID 133274440
4-bromo-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 133303824
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]cyclopropanamine
CID 43283717
methyl 6-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]pyridazine-3-carboxylate
CID 133274466
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
CID 133274441
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133274479
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 166189097
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine
CID 111846945
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918435
1-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine
CID 111590947
1-tert-butyl-3-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110964790
N-[2-[[1-(4-methylphenyl)tetrazol-5-yl]amino]ethyl]pyridine-3-carboxamide
CID 60521247

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine?
The IUPAC name of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine (CID 133274465) is N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine.
What is the SMILES notation for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine?
The canonical SMILES for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine is Cc1ccc(-n2nnnc2NCc2ccc(Oc3cccnc3)c(F)c2)cc1.
What is the InChIKey of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine?
The InChIKey is ZVCWSYLCJXTFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-14-4-7-16(8-5-14)27-20(24-25-26-27)23-12-15-6-9-19(18(21)11-15)28-17-3-2-10-22-13-17/h2-11,13H,12H2,1H3,(H,23,24,26).
What are the key properties of N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine?
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine has a molecular weight of 376.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(4-methylphenyl)tetrazol-5-amine is sourced from PubChem (CID 133274465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).