1-(2-chloro-4-fluorophenyl)tetrazol-5-amine

C7H5ClFN5 — CID 79506308

IUPAC1-(2-chloro-4-fluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1ccc(F)cc1Cl
InChIInChI=1S/C7H5ClFN5/c8-5-3-4(9)1-2-6(5)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13)
InChIKeyPYDSSZAMIIWBAN-UHFFFAOYSA-N
MW213.60 g/mol
LogP1.04
Rot. Bonds1

About 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine

1-(2-chloro-4-fluorophenyl)tetrazol-5-amine (PubChem CID 79506308) has the molecular formula C7H5ClFN5 and a molecular weight of 213.60 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)tetrazol-5-amine
PubChem CID79506308
Molecular FormulaC7H5ClFN5
Molecular Weight213.60 g/mol
Exact Mass213.02
IUPAC Name1-(2-chloro-4-fluorophenyl)tetrazol-5-amine
SMILESNc1nnnn1-c1ccc(F)cc1Cl
InChIInChI=1S/C7H5ClFN5/c8-5-3-4(9)1-2-6(5)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13)
InChIKeyPYDSSZAMIIWBAN-UHFFFAOYSA-N
XLogP1.04
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.60
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine (CID 79506308) is 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine is Nc1nnnn1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine?
The InChIKey is PYDSSZAMIIWBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFN5/c8-5-3-4(9)1-2-6(5)14-7(10)11-12-13-14/h1-3H,(H2,10,11,13).
What are the key properties of 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine?
1-(2-chloro-4-fluorophenyl)tetrazol-5-amine has a molecular weight of 213.60 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)tetrazol-5-amine is sourced from PubChem (CID 79506308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).