2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol

C11H14N4O — CID 105472480

IUPAC2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol
SMILESCCn1nnc(-c2ccccc2O)c1CN
InChIInChI=1S/C11H14N4O/c1-2-15-9(7-12)11(13-14-15)8-5-3-4-6-10(8)16/h3-6,16H,2,7,12H2,1H3
InChIKeyPFANZRRZMDGQOQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.13
Rot. Bonds3

About 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol

2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol (PubChem CID 105472480) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol
PubChem CID105472480
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol
SMILESCCn1nnc(-c2ccccc2O)c1CN
InChIInChI=1S/C11H14N4O/c1-2-15-9(7-12)11(13-14-15)8-5-3-4-6-10(8)16/h3-6,16H,2,7,12H2,1H3
InChIKeyPFANZRRZMDGQOQ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(4-chlorophenyl)-3-ethyltriazol-4-yl]methanamine
CID 105498551
[5-(2-fluorophenyl)-3-methyltriazol-4-yl]methanamine
CID 105458542
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
[5-(2-chlorophenyl)-1-ethyltriazol-4-yl]methanamine
CID 82207486
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
CID 105472466
5-(2-chlorophenyl)-1-ethylpyrazol-4-ol
CID 105480037
2-(1,3,4-oxadiazol-2-yl)phenol;propane
CID 158799675
3-ethyl-5-(2-fluorophenyl)triazole-4-carbaldehyde
CID 105473585
14-ethyl-3-methyl-12,13,14-triazapentacyclo[14.4.0.02,4.05,10.011,15]icosa-1(20),5,7,9,11(15),12,16,18-octaene
CID 163386243
2-[5-(aminomethyl)-2-methylpyrimidin-4-yl]phenol
CID 136866681
5-benzyl-1-ethyltriazole-4-carboxylic acid
CID 82207159
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol?
The IUPAC name of 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol (CID 105472480) is 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol.
What is the SMILES notation for 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol?
The canonical SMILES for 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol is CCn1nnc(-c2ccccc2O)c1CN.
What is the InChIKey of 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol?
The InChIKey is PFANZRRZMDGQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-15-9(7-12)11(13-14-15)8-5-3-4-6-10(8)16/h3-6,16H,2,7,12H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol?
2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1-ethyltriazol-4-yl]phenol is sourced from PubChem (CID 105472480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).