4-[1-(2H-triazol-4-yl)propyl]morpholine

C9H16N4O — CID 54240919

IUPAC4-[1-(2H-triazol-4-yl)propyl]morpholine
SMILESCCC(c1cn[nH]n1)N1CCOCC1
InChIInChI=1S/C9H16N4O/c1-2-9(8-7-10-12-11-8)13-3-5-14-6-4-13/h7,9H,2-6H2,1H3,(H,10,11,12)
InChIKeyKKTMCWRMNVIXQP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.59
Rot. Bonds3

About 4-[1-(2H-triazol-4-yl)propyl]morpholine

4-[1-(2H-triazol-4-yl)propyl]morpholine (PubChem CID 54240919) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-[1-(2H-triazol-4-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[1-(2H-triazol-4-yl)propyl]morpholine
PubChem CID54240919
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-[1-(2H-triazol-4-yl)propyl]morpholine
SMILESCCC(c1cn[nH]n1)N1CCOCC1
InChIInChI=1S/C9H16N4O/c1-2-9(8-7-10-12-11-8)13-3-5-14-6-4-13/h7,9H,2-6H2,1H3,(H,10,11,12)
InChIKeyKKTMCWRMNVIXQP-UHFFFAOYSA-N
XLogP0.59
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2H-triazol-4-yl)propyl]morpholine?
The IUPAC name of 4-[1-(2H-triazol-4-yl)propyl]morpholine (CID 54240919) is 4-[1-(2H-triazol-4-yl)propyl]morpholine.
What is the SMILES notation for 4-[1-(2H-triazol-4-yl)propyl]morpholine?
The canonical SMILES for 4-[1-(2H-triazol-4-yl)propyl]morpholine is CCC(c1cn[nH]n1)N1CCOCC1.
What is the InChIKey of 4-[1-(2H-triazol-4-yl)propyl]morpholine?
The InChIKey is KKTMCWRMNVIXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-9(8-7-10-12-11-8)13-3-5-14-6-4-13/h7,9H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 4-[1-(2H-triazol-4-yl)propyl]morpholine?
4-[1-(2H-triazol-4-yl)propyl]morpholine has a molecular weight of 196.25 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2H-triazol-4-yl)propyl]morpholine is sourced from PubChem (CID 54240919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).