4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol

C11H14N4O — CID 115030668

IUPAC4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol
SMILESCNCc1nc(C)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H14N4O/c1-8-13-11(7-12-2)14-15(8)9-3-5-10(16)6-4-9/h3-6,12,16H,7H2,1-2H3
InChIKeyKNUMALVJOYRVNJ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.00
Rot. Bonds3

About 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol

4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol (PubChem CID 115030668) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol
PubChem CID115030668
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol
SMILESCNCc1nc(C)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C11H14N4O/c1-8-13-11(7-12-2)14-15(8)9-3-5-10(16)6-4-9/h3-6,12,16H,7H2,1-2H3
InChIKeyKNUMALVJOYRVNJ-UHFFFAOYSA-N
XLogP1.00
TPSA62.97 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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol?
The IUPAC name of 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol (CID 115030668) is 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol.
What is the SMILES notation for 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol?
The canonical SMILES for 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol is CNCc1nc(C)n(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol?
The InChIKey is KNUMALVJOYRVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-13-11(7-12-2)14-15(8)9-3-5-10(16)6-4-9/h3-6,12,16H,7H2,1-2H3.
What are the key properties of 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol?
4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-3-(methylaminomethyl)-1,2,4-triazol-1-yl]phenol is sourced from PubChem (CID 115030668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).