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

C11H14N4O2 — CID 136926758

IUPAC4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
SMILESCNc1nnc(-c2cc(OC)ccc2O)n1C
InChIInChI=1S/C11H14N4O2/c1-12-11-14-13-10(15(11)2)8-6-7(17-3)4-5-9(8)16/h4-6,16H,1-3H3,(H,12,14)
InChIKeyFUHGWIDNZOTAOO-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.24
Rot. Bonds3

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

4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol (PubChem CID 136926758) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
PubChem CID136926758
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol
SMILESCNc1nnc(-c2cc(OC)ccc2O)n1C
InChIInChI=1S/C11H14N4O2/c1-12-11-14-13-10(15(11)2)8-6-7(17-3)4-5-9(8)16/h4-6,16H,1-3H3,(H,12,14)
InChIKeyFUHGWIDNZOTAOO-UHFFFAOYSA-N
XLogP1.24
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol (CID 136926758) is 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol is CNc1nnc(-c2cc(OC)ccc2O)n1C.
What is the InChIKey of 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol?
The InChIKey is FUHGWIDNZOTAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-12-11-14-13-10(15(11)2)8-6-7(17-3)4-5-9(8)16/h4-6,16H,1-3H3,(H,12,14).
What are the key properties of 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol?
4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol has a molecular weight of 234.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 136926758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).