1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine

C14H10FN7 — CID 117077499

IUPAC1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine
SMILESNc1nn(-c2ccc(F)cc2)c2cc(-c3nn[nH]n3)ccc12
InChIInChI=1S/C14H10FN7/c15-9-2-4-10(5-3-9)22-12-7-8(14-17-20-21-18-14)1-6-11(12)13(16)19-22/h1-7H,(H2,16,19)(H,17,18,20,21)
InChIKeyJSENAZPSBKYQAN-UHFFFAOYSA-N
MW295.28 g/mol
LogP1.93
Rot. Bonds2

About 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine

1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine (PubChem CID 117077499) has the molecular formula C14H10FN7 and a molecular weight of 295.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine
PubChem CID117077499
Molecular FormulaC14H10FN7
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine
SMILESNc1nn(-c2ccc(F)cc2)c2cc(-c3nn[nH]n3)ccc12
InChIInChI=1S/C14H10FN7/c15-9-2-4-10(5-3-9)22-12-7-8(14-17-20-21-18-14)1-6-11(12)13(16)19-22/h1-7H,(H2,16,19)(H,17,18,20,21)
InChIKeyJSENAZPSBKYQAN-UHFFFAOYSA-N
XLogP1.93
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine (CID 117077499) is 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine is Nc1nn(-c2ccc(F)cc2)c2cc(-c3nn[nH]n3)ccc12.
What is the InChIKey of 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine?
The InChIKey is JSENAZPSBKYQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN7/c15-9-2-4-10(5-3-9)22-12-7-8(14-17-20-21-18-14)1-6-11(12)13(16)19-22/h1-7H,(H2,16,19)(H,17,18,20,21).
What are the key properties of 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine?
1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine has a molecular weight of 295.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-(2H-tetrazol-5-yl)indazol-3-amine is sourced from PubChem (CID 117077499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).