7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine

C10H6FIN6 — CID 168758981

IUPAC7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(I)c2nnnn12
InChIInChI=1S/C10H6FIN6/c11-6-3-1-5(2-4-6)8-7(12)9-15-16-17-18(9)10(13)14-8/h1-4H,(H2,13,14)
InChIKeyNVUZQZNEJSUHMH-UHFFFAOYSA-N
MW356.10 g/mol
LogP1.51
Rot. Bonds1

About 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine (PubChem CID 168758981) has the molecular formula C10H6FIN6 and a molecular weight of 356.10 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine
PubChem CID168758981
Molecular FormulaC10H6FIN6
Molecular Weight356.10 g/mol
Exact Mass355.97
IUPAC Name7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(I)c2nnnn12
InChIInChI=1S/C10H6FIN6/c11-6-3-1-5(2-4-6)8-7(12)9-15-16-17-18(9)10(13)14-8/h1-4H,(H2,13,14)
InChIKeyNVUZQZNEJSUHMH-UHFFFAOYSA-N
XLogP1.51
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
2,5,7-Trimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 617052
1-methyl-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (14)
CID 57780873
5-Methyl-2,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684862
5-(4-Fluorophenyl)-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 1242754
2-(4-Fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 804443
2,5-Dimethyl-3,6-diphenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 684860
1-(tert-butyl)-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 1489656
3-Methyl-6-phenyl[1,2,4]triazolo[4,3-b]pyridazine
CID 12726814

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine (CID 168758981) is 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccc(F)cc2)c(I)c2nnnn12.
What is the InChIKey of 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is NVUZQZNEJSUHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FIN6/c11-6-3-1-5(2-4-6)8-7(12)9-15-16-17-18(9)10(13)14-8/h1-4H,(H2,13,14).
What are the key properties of 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 356.10 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-8-iodotetrazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 168758981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).