1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid

C15H18N4O2 — CID 167987248

IUPAC1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCc2ccc(-n3ccnn3)cc2)CCC1
InChIInChI=1S/C15H18N4O2/c20-14(21)15(6-1-7-15)11-16-10-12-2-4-13(5-3-12)19-9-8-17-18-19/h2-5,8-9,16H,1,6-7,10-11H2,(H,20,21)
InChIKeyOQCVVEUNWRVAGG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.61
Rot. Bonds6

About 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid

1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 167987248) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID167987248
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCc2ccc(-n3ccnn3)cc2)CCC1
InChIInChI=1S/C15H18N4O2/c20-14(21)15(6-1-7-15)11-16-10-12-2-4-13(5-3-12)19-9-8-17-18-19/h2-5,8-9,16H,1,6-7,10-11H2,(H,20,21)
InChIKeyOQCVVEUNWRVAGG-UHFFFAOYSA-N
XLogP1.61
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[[4-(triazol-1-yl)phenyl]methyl]acetamide
CID 167865653
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1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]cyclobutane-1-carboxylic acid
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1-[[[6-(trifluoromethyl)-3-pyridinyl]methylamino]methyl]cyclobutane-1-carboxylic acid
CID 166288554
1-[(2-pyridin-4-ylethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246621
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
CID 136516250
1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309078
1-[[(3-ethyl-4-methoxyphenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242923
3-[[(4-bromophenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248411
N-(4-hydroxy-1-methylcyclohexyl)-4-(triazol-1-yl)benzamide
CID 166280881
1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246509
3-[[(4-propylphenyl)methylamino]methyl]oxetane-3-carboxylic acid
CID 115248420

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid (CID 167987248) is 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNCc2ccc(-n3ccnn3)cc2)CCC1.
What is the InChIKey of 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is OQCVVEUNWRVAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-14(21)15(6-1-7-15)11-16-10-12-2-4-13(5-3-12)19-9-8-17-18-19/h2-5,8-9,16H,1,6-7,10-11H2,(H,20,21).
What are the key properties of 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(triazol-1-yl)phenyl]methylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167987248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).