5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide

C12H17N3O4 — CID 134158538

IUPAC5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide
SMILESCc1nc(C(=O)NN)c(CO)c2c1OC(C)(C)OC2
InChIInChI=1S/C12H17N3O4/c1-6-10-8(5-18-12(2,3)19-10)7(4-16)9(14-6)11(17)15-13/h16H,4-5,13H2,1-3H3,(H,15,17)
InChIKeySCZLGRPQLKINQB-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.13
Rot. Bonds2

About 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide

5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide (PubChem CID 134158538) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide
PubChem CID134158538
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide
SMILESCc1nc(C(=O)NN)c(CO)c2c1OC(C)(C)OC2
InChIInChI=1S/C12H17N3O4/c1-6-10-8(5-18-12(2,3)19-10)7(4-16)9(14-6)11(17)15-13/h16H,4-5,13H2,1-3H3,(H,15,17)
InChIKeySCZLGRPQLKINQB-UHFFFAOYSA-N
XLogP0.13
TPSA106.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide?
The IUPAC name of 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide (CID 134158538) is 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide.
What is the SMILES notation for 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide?
The canonical SMILES for 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide is Cc1nc(C(=O)NN)c(CO)c2c1OC(C)(C)OC2.
What is the InChIKey of 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide?
The InChIKey is SCZLGRPQLKINQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-10-8(5-18-12(2,3)19-10)7(4-16)9(14-6)11(17)15-13/h16H,4-5,13H2,1-3H3,(H,15,17).
What are the key properties of 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide?
5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide has a molecular weight of 267.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine-6-carbohydrazide is sourced from PubChem (CID 134158538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).