1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

C15H12F2N6O — CID 18565993

IUPAC1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1-c1ccccc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H12F2N6O/c16-11-7-4-8-12(17)14(11)19-15(24)18-9-13-20-21-22-23(13)10-5-2-1-3-6-10/h1-8H,9H2,(H2,18,19,24)
InChIKeyMVVOMKWBQPFXPC-UHFFFAOYSA-N
MW330.30 g/mol
LogP2.26
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea

1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (PubChem CID 18565993) has the molecular formula C15H12F2N6O and a molecular weight of 330.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
PubChem CID18565993
Molecular FormulaC15H12F2N6O
Molecular Weight330.30 g/mol
Exact Mass330.10
IUPAC Name1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1-c1ccccc1)Nc1c(F)cccc1F
InChIInChI=1S/C15H12F2N6O/c16-11-7-4-8-12(17)14(11)19-15(24)18-9-13-20-21-22-23(13)10-5-2-1-3-6-10/h1-8H,9H2,(H2,18,19,24)
InChIKeyMVVOMKWBQPFXPC-UHFFFAOYSA-N
XLogP2.26
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea (CID 18565993) is 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is O=C(NCc1nnnn1-c1ccccc1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
The InChIKey is MVVOMKWBQPFXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N6O/c16-11-7-4-8-12(17)14(11)19-15(24)18-9-13-20-21-22-23(13)10-5-2-1-3-6-10/h1-8H,9H2,(H2,18,19,24).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea has a molecular weight of 330.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(1-phenyltetrazol-5-yl)methyl]urea is sourced from PubChem (CID 18565993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).