3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline

C14H11N7 — CID 22480000

IUPAC3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline
SMILESNc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C14H11N7/c15-10-3-1-2-8(6-10)13-11-7-9(14-18-20-21-19-14)4-5-12(11)16-17-13/h1-7H,15H2,(H,16,17)(H,18,19,20,21)
InChIKeyZIJMDIRSWLMLCO-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.99
Rot. Bonds2

About 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline

3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline (PubChem CID 22480000) has the molecular formula C14H11N7 and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline.

Molecular Properties

Compound Name3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline
PubChem CID22480000
Molecular FormulaC14H11N7
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline
SMILESNc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1
InChIInChI=1S/C14H11N7/c15-10-3-1-2-8(6-10)13-11-7-9(14-18-20-21-19-14)4-5-12(11)16-17-13/h1-7H,15H2,(H,16,17)(H,18,19,20,21)
InChIKeyZIJMDIRSWLMLCO-UHFFFAOYSA-N
XLogP1.99
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline?
The IUPAC name of 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline (CID 22480000) is 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline.
What is the SMILES notation for 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline?
The canonical SMILES for 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline is Nc1cccc(-c2n[nH]c3ccc(-c4nn[nH]n4)cc23)c1.
What is the InChIKey of 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline?
The InChIKey is ZIJMDIRSWLMLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7/c15-10-3-1-2-8(6-10)13-11-7-9(14-18-20-21-19-14)4-5-12(11)16-17-13/h1-7H,15H2,(H,16,17)(H,18,19,20,21).
What are the key properties of 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline?
3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline has a molecular weight of 277.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]aniline is sourced from PubChem (CID 22480000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).