2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide

C12H15N5O3 — CID 964789

IUPAC2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNn2cnnc2)ccc1OCC(N)=O
InChIInChI=1S/C12H15N5O3/c1-19-11-4-9(5-16-17-7-14-15-8-17)2-3-10(11)20-6-12(13)18/h2-4,7-8,16H,5-6H2,1H3,(H2,13,18)
InChIKeyVFMORHOZZIANLS-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.11
Rot. Bonds7

About 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide

2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (PubChem CID 964789) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
PubChem CID964789
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNn2cnnc2)ccc1OCC(N)=O
InChIInChI=1S/C12H15N5O3/c1-19-11-4-9(5-16-17-7-14-15-8-17)2-3-10(11)20-6-12(13)18/h2-4,7-8,16H,5-6H2,1H3,(H2,13,18)
InChIKeyVFMORHOZZIANLS-UHFFFAOYSA-N
XLogP-0.11
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide (CID 964789) is 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is COc1cc(CNn2cnnc2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
The InChIKey is VFMORHOZZIANLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-19-11-4-9(5-16-17-7-14-15-8-17)2-3-10(11)20-6-12(13)18/h2-4,7-8,16H,5-6H2,1H3,(H2,13,18).
What are the key properties of 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide?
2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide has a molecular weight of 277.28 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(1,2,4-triazol-4-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 964789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).