4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine

C12H20N4O2 — CID 50852271

IUPAC4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine
SMILESc1c(CN2CCOCC2)nnn1CC1CCCO1
InChIInChI=1S/C12H20N4O2/c1-2-12(18-5-1)10-16-9-11(13-14-16)8-15-3-6-17-7-4-15/h9,12H,1-8,10H2
InChIKeyUVXRKNUQHNXIHE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.29
Rot. Bonds4

About 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine

4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine (PubChem CID 50852271) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine
PubChem CID50852271
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine
SMILESc1c(CN2CCOCC2)nnn1CC1CCCO1
InChIInChI=1S/C12H20N4O2/c1-2-12(18-5-1)10-16-9-11(13-14-16)8-15-3-6-17-7-4-15/h9,12H,1-8,10H2
InChIKeyUVXRKNUQHNXIHE-UHFFFAOYSA-N
XLogP0.29
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine (CID 50852271) is 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine is c1c(CN2CCOCC2)nnn1CC1CCCO1.
What is the InChIKey of 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine?
The InChIKey is UVXRKNUQHNXIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-12(18-5-1)10-16-9-11(13-14-16)8-15-3-6-17-7-4-15/h9,12H,1-8,10H2.
What are the key properties of 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine?
4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine has a molecular weight of 252.32 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxolan-2-ylmethyl)triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 50852271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).