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

C16H15Cl2N5 — CID 54580683

IUPAC1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine
SMILESCC(C)(Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2N5/c1-16(2,11-7-4-3-5-8-11)19-15-20-21-22-23(15)13-10-6-9-12(17)14(13)18/h3-10H,1-2H3,(H,19,20,22)
InChIKeyPQQCLWDFTVBTBZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.32
Rot. Bonds4

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

1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine (PubChem CID 54580683) has the molecular formula C16H15Cl2N5 and a molecular weight of 348.24 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine
PubChem CID54580683
Molecular FormulaC16H15Cl2N5
Molecular Weight348.24 g/mol
Exact Mass347.07
IUPAC Name1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine
SMILESCC(C)(Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2N5/c1-16(2,11-7-4-3-5-8-11)19-15-20-21-22-23(15)13-10-6-9-12(17)14(13)18/h3-10H,1-2H3,(H,19,20,22)
InChIKeyPQQCLWDFTVBTBZ-UHFFFAOYSA-N
XLogP4.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.32
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-(2-phenylpropan-2-yl)tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine (CID 54580683) is 1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine is CC(C)(Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine?
The InChIKey is PQQCLWDFTVBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5/c1-16(2,11-7-4-3-5-8-11)19-15-20-21-22-23(15)13-10-6-9-12(17)14(13)18/h3-10H,1-2H3,(H,19,20,22).
What are the key properties of 1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-(2-phenylpropan-2-yl)tetrazol-5-amine has a molecular weight of 348.24 g/mol, XLogP of 4.32, 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-(2-phenylpropan-2-yl)tetrazol-5-amine is sourced from PubChem (CID 54580683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).