3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide

C13H17N5O2 — CID 115744008

IUPAC3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
SMILESCn1nncc1CNc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H17N5O2/c1-18-10(9-16-17-18)8-15-11-4-2-3-5-12(11)20-7-6-13(14)19/h2-5,9,15H,6-8H2,1H3,(H2,14,19)
InChIKeyGOEUXYDLNLTOAT-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.68
Rot. Bonds7

About 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide

3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide (PubChem CID 115744008) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
PubChem CID115744008
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
SMILESCn1nncc1CNc1ccccc1OCCC(N)=O
InChIInChI=1S/C13H17N5O2/c1-18-10(9-16-17-18)8-15-11-4-2-3-5-12(11)20-7-6-13(14)19/h2-5,9,15H,6-8H2,1H3,(H2,14,19)
InChIKeyGOEUXYDLNLTOAT-UHFFFAOYSA-N
XLogP0.68
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide?
The IUPAC name of 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide (CID 115744008) is 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide.
What is the SMILES notation for 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide?
The canonical SMILES for 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide is Cn1nncc1CNc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide?
The InChIKey is GOEUXYDLNLTOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18-10(9-16-17-18)8-15-11-4-2-3-5-12(11)20-7-6-13(14)19/h2-5,9,15H,6-8H2,1H3,(H2,14,19).
What are the key properties of 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide?
3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide is sourced from PubChem (CID 115744008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).