1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

C15H13FN6O — CID 18565981

IUPAC1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1-c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN6O/c16-11-6-8-12(9-7-11)18-15(23)17-10-14-19-20-21-22(14)13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,18,23)
InChIKeyUGQUCJDACVRJSO-UHFFFAOYSA-N
MW312.31 g/mol
LogP2.12
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (PubChem CID 18565981) has the molecular formula C15H13FN6O and a molecular weight of 312.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
PubChem CID18565981
Molecular FormulaC15H13FN6O
Molecular Weight312.31 g/mol
Exact Mass312.11
IUPAC Name1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1-c1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN6O/c16-11-6-8-12(9-7-11)18-15(23)17-10-14-19-20-21-22(14)13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,18,23)
InChIKeyUGQUCJDACVRJSO-UHFFFAOYSA-N
XLogP2.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (CID 18565981) is 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is O=C(NCc1nnnn1-c1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The InChIKey is UGQUCJDACVRJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN6O/c16-11-6-8-12(9-7-11)18-15(23)17-10-14-19-20-21-22(14)13-4-2-1-3-5-13/h1-9H,10H2,(H2,17,18,23).
What are the key properties of 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea has a molecular weight of 312.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is sourced from PubChem (CID 18565981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).