2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid

C11H10FN5O2 — CID 166842115

IUPAC2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C11H10FN5O2/c12-9-2-7(4-13-5-10(18)19)1-8(3-9)11-16-14-6-15-17-11/h1-3,6,13H,4-5H2,(H,18,19)
InChIKeyHMISNIMEXMKMIB-UHFFFAOYSA-N
MW263.23 g/mol
LogP0.25
Rot. Bonds5

About 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid

2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid (PubChem CID 166842115) has the molecular formula C11H10FN5O2 and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid
PubChem CID166842115
Molecular FormulaC11H10FN5O2
Molecular Weight263.23 g/mol
Exact Mass263.08
IUPAC Name2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid
SMILESO=C(O)CNCc1cc(F)cc(-c2nncnn2)c1
InChIInChI=1S/C11H10FN5O2/c12-9-2-7(4-13-5-10(18)19)1-8(3-9)11-16-14-6-15-17-11/h1-3,6,13H,4-5H2,(H,18,19)
InChIKeyHMISNIMEXMKMIB-UHFFFAOYSA-N
XLogP0.25
TPSA100.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[carboxymethyl-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]amino]acetic acid
CID 166842078
2-[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]-N-methylacetamide
CID 167018407
2-[(3,4,5-trifluorophenyl)methylamino]acetic acid
CID 63050677
2-[(2,3,5-trifluorophenyl)methylamino]acetic acid
CID 69099257
3-[6-(3-carboxy-5-fluorophenyl)-1,2,4,5-tetrazin-3-yl]-5-(18F)fluoro(18F)benzoic acid
CID 176800034
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylacetamide
CID 115767711
2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
CID 91671167
4-fluoro-2-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methyl]benzamide
CID 175274182
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 115282718
(3,5-difluorophenyl)methylurea
CID 112708056
N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755684

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid?
The IUPAC name of 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid (CID 166842115) is 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid is O=C(O)CNCc1cc(F)cc(-c2nncnn2)c1.
What is the InChIKey of 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid?
The InChIKey is HMISNIMEXMKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O2/c12-9-2-7(4-13-5-10(18)19)1-8(3-9)11-16-14-6-15-17-11/h1-3,6,13H,4-5H2,(H,18,19).
What are the key properties of 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid?
2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid has a molecular weight of 263.23 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-5-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]acetic acid is sourced from PubChem (CID 166842115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).