4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one

C13H18N4O2 — CID 143526963

IUPAC4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one
SMILESCCCN(C)c1cc(-n2cn[nH]c2=O)ccc1OC
InChIInChI=1S/C13H18N4O2/c1-4-7-16(2)11-8-10(5-6-12(11)19-3)17-9-14-15-13(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,15,18)
InChIKeyUDIGEJMSIKJKMW-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.42
Rot. Bonds5

About 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one

4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one (PubChem CID 143526963) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one
PubChem CID143526963
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one
SMILESCCCN(C)c1cc(-n2cn[nH]c2=O)ccc1OC
InChIInChI=1S/C13H18N4O2/c1-4-7-16(2)11-8-10(5-6-12(11)19-3)17-9-14-15-13(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,15,18)
InChIKeyUDIGEJMSIKJKMW-UHFFFAOYSA-N
XLogP1.42
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one (CID 143526963) is 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one is CCCN(C)c1cc(-n2cn[nH]c2=O)ccc1OC.
What is the InChIKey of 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one?
The InChIKey is UDIGEJMSIKJKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-7-16(2)11-8-10(5-6-12(11)19-3)17-9-14-15-13(17)18/h5-6,8-9H,4,7H2,1-3H3,(H,15,18).
What are the key properties of 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one?
4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one has a molecular weight of 262.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-[methyl(propyl)amino]phenyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 143526963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).