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

C11H14N4O — CID 105472466

IUPAC2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
SMILESCCc1c(CN)nnn1-c1ccccc1O
InChIInChI=1S/C11H14N4O/c1-2-9-8(7-12)13-14-15(9)10-5-3-4-6-11(10)16/h3-6,16H,2,7,12H2,1H3
InChIKeyMLFIWCRBSQQMRQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.99
Rot. Bonds3

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

2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol (PubChem CID 105472466) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
PubChem CID105472466
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol
SMILESCCc1c(CN)nnn1-c1ccccc1O
InChIInChI=1S/C11H14N4O/c1-2-9-8(7-12)13-14-15(9)10-5-3-4-6-11(10)16/h3-6,16H,2,7,12H2,1H3
InChIKeyMLFIWCRBSQQMRQ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol?
The IUPAC name of 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol (CID 105472466) is 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol?
The canonical SMILES for 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol is CCc1c(CN)nnn1-c1ccccc1O.
What is the InChIKey of 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol?
The InChIKey is MLFIWCRBSQQMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-9-8(7-12)13-14-15(9)10-5-3-4-6-11(10)16/h3-6,16H,2,7,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol?
2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-ethyltriazol-1-yl]phenol is sourced from PubChem (CID 105472466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).