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

C15H10Cl2F3N5 — CID 54582681

IUPAC1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
SMILESFC(F)(F)c1ccc(CNc2nnnn2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H10Cl2F3N5/c16-11-2-1-3-12(13(11)17)25-14(22-23-24-25)21-8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2,(H,21,22,24)
InChIKeyYUPDBYJLMLOBGH-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.60
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (PubChem CID 54582681) has the molecular formula C15H10Cl2F3N5 and a molecular weight of 388.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
PubChem CID54582681
Molecular FormulaC15H10Cl2F3N5
Molecular Weight388.18 g/mol
Exact Mass387.03
IUPAC Name1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
SMILESFC(F)(F)c1ccc(CNc2nnnn2-c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C15H10Cl2F3N5/c16-11-2-1-3-12(13(11)17)25-14(22-23-24-25)21-8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2,(H,21,22,24)
InChIKeyYUPDBYJLMLOBGH-UHFFFAOYSA-N
XLogP4.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine (CID 54582681) is 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is FC(F)(F)c1ccc(CNc2nnnn2-c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
The InChIKey is YUPDBYJLMLOBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N5/c16-11-2-1-3-12(13(11)17)25-14(22-23-24-25)21-8-9-4-6-10(7-5-9)15(18,19)20/h1-7H,8H2,(H,21,22,24).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine has a molecular weight of 388.18 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine is sourced from PubChem (CID 54582681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).