1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide

C12H22N6O3 — CID 114781911

IUPAC1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide
SMILESCC1(C)CN(CCn2cc(C(=O)NN)nn2)CC(CO)O1
InChIInChI=1S/C12H22N6O3/c1-12(2)8-17(5-9(7-19)21-12)3-4-18-6-10(15-16-18)11(20)14-13/h6,9,19H,3-5,7-8,13H2,1-2H3,(H,14,20)
InChIKeyMBJLTALBJUCTKG-UHFFFAOYSA-N
MW298.35 g/mol
LogP-1.65
Rot. Bonds5

About 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide

1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide (PubChem CID 114781911) has the molecular formula C12H22N6O3 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide.

Molecular Properties

Compound Name1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide
PubChem CID114781911
Molecular FormulaC12H22N6O3
Molecular Weight298.35 g/mol
Exact Mass298.18
IUPAC Name1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide
SMILESCC1(C)CN(CCn2cc(C(=O)NN)nn2)CC(CO)O1
InChIInChI=1S/C12H22N6O3/c1-12(2)8-17(5-9(7-19)21-12)3-4-18-6-10(15-16-18)11(20)14-13/h6,9,19H,3-5,7-8,13H2,1-2H3,(H,14,20)
InChIKeyMBJLTALBJUCTKG-UHFFFAOYSA-N
XLogP-1.65
TPSA118.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide?
The IUPAC name of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide (CID 114781911) is 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide.
What is the SMILES notation for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide?
The canonical SMILES for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide is CC1(C)CN(CCn2cc(C(=O)NN)nn2)CC(CO)O1.
What is the InChIKey of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide?
The InChIKey is MBJLTALBJUCTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O3/c1-12(2)8-17(5-9(7-19)21-12)3-4-18-6-10(15-16-18)11(20)14-13/h6,9,19H,3-5,7-8,13H2,1-2H3,(H,14,20).
What are the key properties of 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide?
1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide has a molecular weight of 298.35 g/mol, XLogP of -1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethyl]triazole-4-carbohydrazide is sourced from PubChem (CID 114781911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).