1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine

C14H10Cl2FN5 — CID 54580660

IUPAC1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine
SMILESFc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl2FN5/c15-11-5-2-6-12(13(11)16)22-14(19-20-21-22)18-8-9-3-1-4-10(17)7-9/h1-7H,8H2,(H,18,19,21)
InChIKeyIWVBHQLYFBZWHL-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.72
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine (PubChem CID 54580660) has the molecular formula C14H10Cl2FN5 and a molecular weight of 338.17 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine
PubChem CID54580660
Molecular FormulaC14H10Cl2FN5
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine
SMILESFc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H10Cl2FN5/c15-11-5-2-6-12(13(11)16)22-14(19-20-21-22)18-8-9-3-1-4-10(17)7-9/h1-7H,8H2,(H,18,19,21)
InChIKeyIWVBHQLYFBZWHL-UHFFFAOYSA-N
XLogP3.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~5~-(2-chlorobenzyl)-1-phenyl-1H-1,2,4-triazole-3,5-diamine
CID 8071206
N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 11508020
1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
CID 11509663
1-(2,3-dichlorophenyl)-N-[2-(methylthio)benzyl]-1H-tetrazol-5-amine
CID 11523472
1-(2,3-dichlorophenyl)-N-[(1R)-1-phenylethyl]tetrazol-5-amine
CID 11537311
2-[[[1-(2,3-Dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
CID 11544727
1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine
CID 11652890
1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
CID 11709955
2-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 44453839
N-benzyl-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 44453843
2-(2,3-dichlorophenyl)-N-phenyl-1,2,4-triazol-3-amine
CID 44453893
1-(2,3-dichlorophenyl)-N-[2-(methylsulfonyl)benzyl]-1H-tetraazol-5-amine
CID 53249126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine (CID 54580660) is 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine is Fc1cccc(CNc2nnnn2-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine?
The InChIKey is IWVBHQLYFBZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN5/c15-11-5-2-6-12(13(11)16)22-14(19-20-21-22)18-8-9-3-1-4-10(17)7-9/h1-7H,8H2,(H,18,19,21).
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(3-fluorophenyl)methyl]tetrazol-5-amine has a molecular weight of 338.17 g/mol, XLogP of 3.72, 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-[(3-fluorophenyl)methyl]tetrazol-5-amine is sourced from PubChem (CID 54580660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).