[4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate

C10H9F2N4O5P — CID 154650017

IUPAC[4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate
SMILESO=C(Nc1ccc(F)cc1F)c1cnn(COP(=O)(O)O)n1
InChIInChI=1S/C10H9F2N4O5P/c11-6-1-2-8(7(12)3-6)14-10(17)9-4-13-16(15-9)5-21-22(18,19)20/h1-4H,5H2,(H,14,17)(H2,18,19,20)
InChIKeyUVCFKBOYCRCXDN-UHFFFAOYSA-N
MW334.18 g/mol
LogP0.88
Rot. Bonds5

About [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate

[4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate (PubChem CID 154650017) has the molecular formula C10H9F2N4O5P and a molecular weight of 334.18 g/mol. Its IUPAC name is [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate.

Molecular Properties

Compound Name[4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate
PubChem CID154650017
Molecular FormulaC10H9F2N4O5P
Molecular Weight334.18 g/mol
Exact Mass334.03
IUPAC Name[4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate
SMILESO=C(Nc1ccc(F)cc1F)c1cnn(COP(=O)(O)O)n1
InChIInChI=1S/C10H9F2N4O5P/c11-6-1-2-8(7(12)3-6)14-10(17)9-4-13-16(15-9)5-21-22(18,19)20/h1-4H,5H2,(H,14,17)(H2,18,19,20)
InChIKeyUVCFKBOYCRCXDN-UHFFFAOYSA-N
XLogP0.88
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.18
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-3-[(2,4-difluorophenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate
CID 154649932
[4-chloro-5-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]phosphonic acid
CID 154649889
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
N-(2,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 91156888
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
[4-[(2-chloro-4-methylphenyl)carbamoyl]-5-fluorotriazol-2-yl]methyl dihydrogen phosphate
CID 159197037
1-[3-chloro-5-[(2,4-difluorophenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate
CID 154650000
1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
1-[4-bromo-3-chloro-5-[(2,4-difluorophenyl)carbamoyl]pyrazol-1-yl]ethyl dihydrogen phosphate
CID 154649883
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate?
The IUPAC name of [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate (CID 154650017) is [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate.
What is the SMILES notation for [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate?
The canonical SMILES for [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate is O=C(Nc1ccc(F)cc1F)c1cnn(COP(=O)(O)O)n1.
What is the InChIKey of [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate?
The InChIKey is UVCFKBOYCRCXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N4O5P/c11-6-1-2-8(7(12)3-6)14-10(17)9-4-13-16(15-9)5-21-22(18,19)20/h1-4H,5H2,(H,14,17)(H2,18,19,20).
What are the key properties of [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate?
[4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate has a molecular weight of 334.18 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-difluorophenyl)carbamoyl]triazol-2-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 154650017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).