2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid

C13H16N4O3 — CID 71431628

IUPAC2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid
SMILESCOCCN(Cn1cc(-c2ccccc2)nn1)C(=O)O
InChIInChI=1S/C13H16N4O3/c1-20-8-7-16(13(18)19)10-17-9-12(14-15-17)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,18,19)
InChIKeyFRWCQKAVMZOQTK-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.53
Rot. Bonds6

About 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid

2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid (PubChem CID 71431628) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid.

Molecular Properties

Compound Name2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid
PubChem CID71431628
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid
SMILESCOCCN(Cn1cc(-c2ccccc2)nn1)C(=O)O
InChIInChI=1S/C13H16N4O3/c1-20-8-7-16(13(18)19)10-17-9-12(14-15-17)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,18,19)
InChIKeyFRWCQKAVMZOQTK-UHFFFAOYSA-N
XLogP1.53
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic 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

1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
1-(diethoxyphosphorylmethyl)-4-phenyltriazole
CID 86196609
N,N-bis(2-methoxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 86912287
2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[3-[4-[4-[tris[4-[1-[3-[[2-[[2-[[2-[[2-[[2-[carboxymethyl(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]amino]propyl]triazol-4-yl]phenyl]methyl]phenyl]triazol-1-yl]propylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 122392990
5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
CID 146152132
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 97062773
1-[2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 71917448
1-[2-[bis(2-methoxyethyl)amino]ethyl]triazole-4-carboxylic acid
CID 61418872
trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
1-(2,2-diethoxyethyl)-4-phenyltriazole
CID 134693344

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid?
The IUPAC name of 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid (CID 71431628) is 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid.
What is the SMILES notation for 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid?
The canonical SMILES for 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid is COCCN(Cn1cc(-c2ccccc2)nn1)C(=O)O.
What is the InChIKey of 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid?
The InChIKey is FRWCQKAVMZOQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-20-8-7-16(13(18)19)10-17-9-12(14-15-17)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,18,19).
What are the key properties of 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid?
2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid has a molecular weight of 276.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[(4-phenyltriazol-1-yl)methyl]carbamic acid is sourced from PubChem (CID 71431628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).