4-chloro-2-(2H-tetrazol-5-yl)aniline

C7H6ClN5 — CID 14063018

IUPAC4-chloro-2-(2H-tetrazol-5-yl)aniline
SMILESNc1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C7H6ClN5/c8-4-1-2-6(9)5(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKeyBUSUUPIMJLVUGH-UHFFFAOYSA-N
MW195.61 g/mol
LogP1.10
Rot. Bonds1

About 4-chloro-2-(2H-tetrazol-5-yl)aniline

4-chloro-2-(2H-tetrazol-5-yl)aniline (PubChem CID 14063018) has the molecular formula C7H6ClN5 and a molecular weight of 195.61 g/mol. Its IUPAC name is 4-chloro-2-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(2H-tetrazol-5-yl)aniline
PubChem CID14063018
Molecular FormulaC7H6ClN5
Molecular Weight195.61 g/mol
Exact Mass195.03
IUPAC Name4-chloro-2-(2H-tetrazol-5-yl)aniline
SMILESNc1ccc(Cl)cc1-c1nn[nH]n1
InChIInChI=1S/C7H6ClN5/c8-4-1-2-6(9)5(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13)
InChIKeyBUSUUPIMJLVUGH-UHFFFAOYSA-N
XLogP1.10
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 4-chloro-2-(2H-tetrazol-5-yl)aniline (CID 14063018) is 4-chloro-2-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 4-chloro-2-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 4-chloro-2-(2H-tetrazol-5-yl)aniline is Nc1ccc(Cl)cc1-c1nn[nH]n1.
What is the InChIKey of 4-chloro-2-(2H-tetrazol-5-yl)aniline?
The InChIKey is BUSUUPIMJLVUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5/c8-4-1-2-6(9)5(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13).
What are the key properties of 4-chloro-2-(2H-tetrazol-5-yl)aniline?
4-chloro-2-(2H-tetrazol-5-yl)aniline has a molecular weight of 195.61 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 14063018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).