4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol

C11H14N4O — CID 114419757

IUPAC4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
SMILESCC(N)c1cn(Cc2ccc(O)cc2)nn1
InChIInChI=1S/C11H14N4O/c1-8(12)11-7-15(14-13-11)6-9-2-4-10(16)5-3-9/h2-5,7-8,16H,6,12H2,1H3
InChIKeyOQTVZTVZSQABRU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.05
Rot. Bonds3

About 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol

4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol (PubChem CID 114419757) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
PubChem CID114419757
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol
SMILESCC(N)c1cn(Cc2ccc(O)cc2)nn1
InChIInChI=1S/C11H14N4O/c1-8(12)11-7-15(14-13-11)6-9-2-4-10(16)5-3-9/h2-5,7-8,16H,6,12H2,1H3
InChIKeyOQTVZTVZSQABRU-UHFFFAOYSA-N
XLogP1.05
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419662
1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanamine
CID 114419617
1-[1-(thiophen-3-ylmethyl)triazol-4-yl]ethanamine
CID 114420053
1-[1-[(4-nitrophenyl)methyl]triazol-4-yl]ethanamine
CID 114419595
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanamine
CID 114419923
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
[4-[[4-(1-aminopropyl)triazol-1-yl]methyl]phenyl]methanol
CID 106227746
1-[1-(quinolin-6-ylmethyl)triazol-4-yl]ethanamine
CID 114419542
1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]ethanol
CID 81444577
2-[1-[(4-fluorophenyl)methyl]triazol-4-yl]propanamide
CID 140822100

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol (CID 114419757) is 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol is CC(N)c1cn(Cc2ccc(O)cc2)nn1.
What is the InChIKey of 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol?
The InChIKey is OQTVZTVZSQABRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(12)11-7-15(14-13-11)6-9-2-4-10(16)5-3-9/h2-5,7-8,16H,6,12H2,1H3.
What are the key properties of 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol?
4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol has a molecular weight of 218.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1-aminoethyl)triazol-1-yl]methyl]phenol is sourced from PubChem (CID 114419757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).