4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine

C7H14N4O — CID 152660691

IUPAC4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine
SMILESC1=NCN(CN2CCOCC2)N1
InChIInChI=1S/C7H14N4O/c1-3-12-4-2-10(1)7-11-6-8-5-9-11/h5H,1-4,6-7H2,(H,8,9)
InChIKeyZJMJUMMSWJAALB-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.92
Rot. Bonds2

About 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine

4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine (PubChem CID 152660691) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine
PubChem CID152660691
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine
SMILESC1=NCN(CN2CCOCC2)N1
InChIInChI=1S/C7H14N4O/c1-3-12-4-2-10(1)7-11-6-8-5-9-11/h5H,1-4,6-7H2,(H,8,9)
InChIKeyZJMJUMMSWJAALB-UHFFFAOYSA-N
XLogP-0.92
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(Morpholin-4-yl)methyl]-2h-1,2,4-triazole-3-thione
CID 86126780
5,6,8,8a-tetrahydro-3H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 89522089
4-(2-Methyl-1,5-dihydro-1,2,4-triazol-5-yl)morpholine
CID 154523304
N'-methyl-N-(methylamino)morpholine-4-carboximidamide
CID 169236519
N-(hydrazinylmethylidene)morpholine-4-carboximidamide;hydrochloride
CID 176535870
N-(hydrazinylmethylidene)morpholine-4-carboximidamide
CID 177726584

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine?
The IUPAC name of 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine (CID 152660691) is 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine.
What is the SMILES notation for 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine?
The canonical SMILES for 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine is C1=NCN(CN2CCOCC2)N1.
What is the InChIKey of 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine?
The InChIKey is ZJMJUMMSWJAALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-3-12-4-2-10(1)7-11-6-8-5-9-11/h5H,1-4,6-7H2,(H,8,9).
What are the key properties of 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine?
4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine has a molecular weight of 170.22 g/mol, XLogP of -0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dihydro-1,2,4-triazol-2-ylmethyl)morpholine is sourced from PubChem (CID 152660691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).