1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine

C14H11Cl2N5 — CID 54581673

IUPAC1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine
SMILESCc1ccccc1Nc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N5/c1-9-5-2-3-7-11(9)17-14-18-19-20-21(14)12-8-4-6-10(15)13(12)16/h2-8H,1H3,(H,17,18,20)
InChIKeyBVSFOZKUTKWLHC-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.02
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine (PubChem CID 54581673) has the molecular formula C14H11Cl2N5 and a molecular weight of 320.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine
PubChem CID54581673
Molecular FormulaC14H11Cl2N5
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine
SMILESCc1ccccc1Nc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C14H11Cl2N5/c1-9-5-2-3-7-11(9)17-14-18-19-20-21(14)12-8-4-6-10(15)13(12)16/h2-8H,1H3,(H,17,18,20)
InChIKeyBVSFOZKUTKWLHC-UHFFFAOYSA-N
XLogP4.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 11508020
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-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 54580660
N-[(3-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 54580661
1-(2,3-dichlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazol-5-amine
CID 54580681

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine (CID 54581673) is 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine is Cc1ccccc1Nc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine?
The InChIKey is BVSFOZKUTKWLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N5/c1-9-5-2-3-7-11(9)17-14-18-19-20-21(14)12-8-4-6-10(15)13(12)16/h2-8H,1H3,(H,17,18,20).
What are the key properties of 1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine has a molecular weight of 320.18 g/mol, XLogP of 4.02, 3 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-(2-methylphenyl)tetrazol-5-amine is sourced from PubChem (CID 54581673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).