4-[1-(4-aminophenyl)tetrazol-5-yl]aniline

C13H12N6 — CID 852671

IUPAC4-[1-(4-aminophenyl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2-c2ccc(N)cc2)cc1
InChIInChI=1S/C13H12N6/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H,14-15H2
InChIKeyLZAKASPXZJOSAG-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.49
Rot. Bonds2

About 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline

4-[1-(4-aminophenyl)tetrazol-5-yl]aniline (PubChem CID 852671) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)tetrazol-5-yl]aniline
PubChem CID852671
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name4-[1-(4-aminophenyl)tetrazol-5-yl]aniline
SMILESNc1ccc(-c2nnnn2-c2ccc(N)cc2)cc1
InChIInChI=1S/C13H12N6/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H,14-15H2
InChIKeyLZAKASPXZJOSAG-UHFFFAOYSA-N
XLogP1.49
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline (CID 852671) is 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline is Nc1ccc(-c2nnnn2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline?
The InChIKey is LZAKASPXZJOSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)12-7-5-11(15)6-8-12/h1-8H,14-15H2.
What are the key properties of 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline?
4-[1-(4-aminophenyl)tetrazol-5-yl]aniline has a molecular weight of 252.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 852671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).