4-[(1-methyltriazol-4-yl)methyl]morpholine

C8H14N4O — CID 130163626

IUPAC4-[(1-methyltriazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C8H14N4O/c1-11-6-8(9-10-11)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3
InChIKeyXUVDPYDKABFMSI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.35
Rot. Bonds2

About 4-[(1-methyltriazol-4-yl)methyl]morpholine

4-[(1-methyltriazol-4-yl)methyl]morpholine (PubChem CID 130163626) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-[(1-methyltriazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(1-methyltriazol-4-yl)methyl]morpholine
PubChem CID130163626
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-[(1-methyltriazol-4-yl)methyl]morpholine
SMILESCn1cc(CN2CCOCC2)nn1
InChIInChI=1S/C8H14N4O/c1-11-6-8(9-10-11)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3
InChIKeyXUVDPYDKABFMSI-UHFFFAOYSA-N
XLogP-0.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(1-methyltriazol-4-yl)methyl]morpholine (CID 130163626) is 4-[(1-methyltriazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(1-methyltriazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(1-methyltriazol-4-yl)methyl]morpholine is Cn1cc(CN2CCOCC2)nn1.
What is the InChIKey of 4-[(1-methyltriazol-4-yl)methyl]morpholine?
The InChIKey is XUVDPYDKABFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-11-6-8(9-10-11)7-12-2-4-13-5-3-12/h6H,2-5,7H2,1H3.
What are the key properties of 4-[(1-methyltriazol-4-yl)methyl]morpholine?
4-[(1-methyltriazol-4-yl)methyl]morpholine has a molecular weight of 182.23 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyltriazol-4-yl)methyl]morpholine is sourced from PubChem (CID 130163626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).