2-chloro-5-(tetrazol-1-yl)aniline

C7H6ClN5 — CID 16776053

IUPAC2-chloro-5-(tetrazol-1-yl)aniline
SMILESNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C7H6ClN5/c8-6-2-1-5(3-7(6)9)13-4-10-11-12-13/h1-4H,9H2
InChIKeyREPMWWUNJMCOJV-UHFFFAOYSA-N
MW195.61 g/mol
LogP0.90
Rot. Bonds1

About 2-chloro-5-(tetrazol-1-yl)aniline

2-chloro-5-(tetrazol-1-yl)aniline (PubChem CID 16776053) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 2-chloro-5-(tetrazol-1-yl)aniline.

Molecular Properties

Compound Name2-chloro-5-(tetrazol-1-yl)aniline
PubChem CID16776053
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name2-chloro-5-(tetrazol-1-yl)aniline
SMILESNc1cc(-n2cnnn2)ccc1Cl
InChIInChI=1S/C7H6ClN5/c8-6-2-1-5(3-7(6)9)13-4-10-11-12-13/h1-4H,9H2
InChIKeyREPMWWUNJMCOJV-UHFFFAOYSA-N
XLogP0.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-1H-tetrazole
CID 270006
3-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 863007
1-[4-Chlorophenyl]-N,N-dimethyl-1H-tetrazol-5-amine
CID 539378
3-chloro-4-(1H-1,2,4-triazol-1-yl)aniline
CID 16394866
1-(3-Chlorophenyl)-1h-tetrazol-5-amine
CID 285134
5-Amino-O-chlorophenyl tetrazole
CID 323184
5-chloro-2-(1H-1,2,4-triazol-1-yl)aniline
CID 5019940
5-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)aniline
CID 16773064
1-(4-chloro-2-iodophenyl)-1H-1,2,3,4-tetrazole
CID 66698384
1-(3-chloro-4-fluorophenyl)-1H-tetrazole
CID 3809490
Tetrazole,5-amino-1-(4-chlorophenyl)
CID 1473133
5-Chloro-1-[4-chlorophenyl]-1H-tetrazole
CID 591993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(tetrazol-1-yl)aniline?
The IUPAC name of 2-chloro-5-(tetrazol-1-yl)aniline (CID 16776053) is 2-chloro-5-(tetrazol-1-yl)aniline.
What is the SMILES notation for 2-chloro-5-(tetrazol-1-yl)aniline?
The canonical SMILES for 2-chloro-5-(tetrazol-1-yl)aniline is Nc1cc(-n2cnnn2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(tetrazol-1-yl)aniline?
The InChIKey is REPMWWUNJMCOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c8-6-2-1-5(3-7(6)9)13-4-10-11-12-13/h1-4H,9H2.
What are the key properties of 2-chloro-5-(tetrazol-1-yl)aniline?
2-chloro-5-(tetrazol-1-yl)aniline has a molecular weight of 195.61 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(tetrazol-1-yl)aniline is sourced from PubChem (CID 16776053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).