N,1-bis(2-chlorophenyl)tetrazol-5-amine

C13H9Cl2N5 — CID 53381978

IUPACN,1-bis(2-chlorophenyl)tetrazol-5-amine
SMILESClc1ccccc1Nc1nnnn1-c1ccccc1Cl
InChIInChI=1S/C13H9Cl2N5/c14-9-5-1-3-7-11(9)16-13-17-18-19-20(13)12-8-4-2-6-10(12)15/h1-8H,(H,16,17,19)
InChIKeyQTWUJLIWSMCFJU-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.71
Rot. Bonds3

About N,1-bis(2-chlorophenyl)tetrazol-5-amine

N,1-bis(2-chlorophenyl)tetrazol-5-amine (PubChem CID 53381978) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is N,1-bis(2-chlorophenyl)tetrazol-5-amine.

Molecular Properties

Compound NameN,1-bis(2-chlorophenyl)tetrazol-5-amine
PubChem CID53381978
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC NameN,1-bis(2-chlorophenyl)tetrazol-5-amine
SMILESClc1ccccc1Nc1nnnn1-c1ccccc1Cl
InChIInChI=1S/C13H9Cl2N5/c14-9-5-1-3-7-11(9)16-13-17-18-19-20(13)12-8-4-2-6-10(12)15/h1-8H,(H,16,17,19)
InChIKeyQTWUJLIWSMCFJU-UHFFFAOYSA-N
XLogP3.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.71
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-[(1R)-1-phenylethyl]tetrazol-5-amine
CID 11537311
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-phenylpropan-2-yl)tetrazol-5-amine
CID 54580683
1-(2,3-dichlorophenyl)-N-(2-methylphenyl)tetrazol-5-amine
CID 54581673
1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine
CID 54583647
1-(2,3-dichlorophenyl)-N-[(4-fluorophenyl)methyl]tetrazol-5-amine
CID 54585545
N-[(2-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 54585546
N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 54585547
1-(2,3-dichlorophenyl)-N-[(2-fluorophenyl)methyl]tetrazol-5-amine
CID 54586524

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2-chlorophenyl)tetrazol-5-amine?
The IUPAC name of N,1-bis(2-chlorophenyl)tetrazol-5-amine (CID 53381978) is N,1-bis(2-chlorophenyl)tetrazol-5-amine.
What is the SMILES notation for N,1-bis(2-chlorophenyl)tetrazol-5-amine?
The canonical SMILES for N,1-bis(2-chlorophenyl)tetrazol-5-amine is Clc1ccccc1Nc1nnnn1-c1ccccc1Cl.
What is the InChIKey of N,1-bis(2-chlorophenyl)tetrazol-5-amine?
The InChIKey is QTWUJLIWSMCFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/c14-9-5-1-3-7-11(9)16-13-17-18-19-20(13)12-8-4-2-6-10(12)15/h1-8H,(H,16,17,19).
What are the key properties of N,1-bis(2-chlorophenyl)tetrazol-5-amine?
N,1-bis(2-chlorophenyl)tetrazol-5-amine has a molecular weight of 306.16 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2-chlorophenyl)tetrazol-5-amine is sourced from PubChem (CID 53381978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).