N-(3-fluorophenyl)-2H-tetrazol-5-amine

C7H6FN5 — CID 130013830

IUPACN-(3-fluorophenyl)-2H-tetrazol-5-amine
SMILESFc1cccc(Nc2nn[nH]n2)c1
InChIInChI=1S/C7H6FN5/c8-5-2-1-3-6(4-5)9-7-10-12-13-11-7/h1-4H,(H2,9,10,11,12,13)
InChIKeyHLADYAXMGXRSJG-UHFFFAOYSA-N
MW179.16 g/mol
LogP1.08
Rot. Bonds2

About N-(3-fluorophenyl)-2H-tetrazol-5-amine

N-(3-fluorophenyl)-2H-tetrazol-5-amine (PubChem CID 130013830) has the molecular formula C7H6FN5 and a molecular weight of 179.16 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2H-tetrazol-5-amine
PubChem CID130013830
Molecular FormulaC7H6FN5
Molecular Weight179.16 g/mol
Exact Mass179.06
IUPAC NameN-(3-fluorophenyl)-2H-tetrazol-5-amine
SMILESFc1cccc(Nc2nn[nH]n2)c1
InChIInChI=1S/C7H6FN5/c8-5-2-1-3-6(4-5)9-7-10-12-13-11-7/h1-4H,(H2,9,10,11,12,13)
InChIKeyHLADYAXMGXRSJG-UHFFFAOYSA-N
XLogP1.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.16
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2H-tetrazol-5-amine?
The IUPAC name of N-(3-fluorophenyl)-2H-tetrazol-5-amine (CID 130013830) is N-(3-fluorophenyl)-2H-tetrazol-5-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2H-tetrazol-5-amine?
The canonical SMILES for N-(3-fluorophenyl)-2H-tetrazol-5-amine is Fc1cccc(Nc2nn[nH]n2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2H-tetrazol-5-amine?
The InChIKey is HLADYAXMGXRSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN5/c8-5-2-1-3-6(4-5)9-7-10-12-13-11-7/h1-4H,(H2,9,10,11,12,13).
What are the key properties of N-(3-fluorophenyl)-2H-tetrazol-5-amine?
N-(3-fluorophenyl)-2H-tetrazol-5-amine has a molecular weight of 179.16 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2H-tetrazol-5-amine is sourced from PubChem (CID 130013830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).