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

C15H19FN6O — CID 16799326

IUPAC1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C15H19FN6O/c16-11-6-8-13(9-7-11)22-14(19-20-21-22)10-17-15(23)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,23)
InChIKeyAXHHZEGKZBNZIO-UHFFFAOYSA-N
MW318.36 g/mol
LogP1.93
Rot. Bonds4

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

1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea (PubChem CID 16799326) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
PubChem CID16799326
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea
SMILESO=C(NCc1nnnn1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C15H19FN6O/c16-11-6-8-13(9-7-11)22-14(19-20-21-22)10-17-15(23)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,23)
InChIKeyAXHHZEGKZBNZIO-UHFFFAOYSA-N
XLogP1.93
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea (CID 16799326) is 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea is O=C(NCc1nnnn1-c1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
The InChIKey is AXHHZEGKZBNZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN6O/c16-11-6-8-13(9-7-11)22-14(19-20-21-22)10-17-15(23)18-12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,17,18,23).
What are the key properties of 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea?
1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea has a molecular weight of 318.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]urea is sourced from PubChem (CID 16799326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).