[4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone

C9H14N4O3 — CID 122218061

IUPAC[4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone
SMILESCOCc1cn(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C9H14N4O3/c1-15-7-8-6-13(11-10-8)9(14)12-2-4-16-5-3-12/h6H,2-5,7H2,1H3
InChIKeyUMBIDICKQYBTKW-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.28
Rot. Bonds2

About [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone

[4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone (PubChem CID 122218061) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone
PubChem CID122218061
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name[4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone
SMILESCOCc1cn(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C9H14N4O3/c1-15-7-8-6-13(11-10-8)9(14)12-2-4-16-5-3-12/h6H,2-5,7H2,1H3
InChIKeyUMBIDICKQYBTKW-UHFFFAOYSA-N
XLogP-0.28
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone (CID 122218061) is [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone is COCc1cn(C(=O)N2CCOCC2)nn1.
What is the InChIKey of [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone?
The InChIKey is UMBIDICKQYBTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-15-7-8-6-13(11-10-8)9(14)12-2-4-16-5-3-12/h6H,2-5,7H2,1H3.
What are the key properties of [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone?
[4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone has a molecular weight of 226.24 g/mol, XLogP of -0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)triazol-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 122218061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).