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

C7H7N5 — CID 1079216

IUPAC4-(2H-tetrazol-5-yl)aniline
SMILESNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
InChIKeyKTPONJJKCBOJCQ-UHFFFAOYSA-N
MW161.17 g/mol
LogP0.45
Rot. Bonds1

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

4-(2H-tetrazol-5-yl)aniline (PubChem CID 1079216) has the molecular formula C7H7N5 and a molecular weight of 161.17 g/mol. Its IUPAC name is 4-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-(2H-tetrazol-5-yl)aniline
PubChem CID1079216
Molecular FormulaC7H7N5
Molecular Weight161.17 g/mol
Exact Mass161.07
IUPAC Name4-(2H-tetrazol-5-yl)aniline
SMILESNc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12)
InChIKeyKTPONJJKCBOJCQ-UHFFFAOYSA-N
XLogP0.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 50.45
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-(2H-tetrazol-5-yl)aniline?
The IUPAC name of 4-(2H-tetrazol-5-yl)aniline (CID 1079216) is 4-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for 4-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for 4-(2H-tetrazol-5-yl)aniline is Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 4-(2H-tetrazol-5-yl)aniline?
The InChIKey is KTPONJJKCBOJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12).
What are the key properties of 4-(2H-tetrazol-5-yl)aniline?
4-(2H-tetrazol-5-yl)aniline has a molecular weight of 161.17 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 1079216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).