3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide

C14H24N4O2 — CID 114540671

IUPAC3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(CN2CC(C)N(C)C(C)C2)oc1C(=O)NN
InChIInChI=1S/C14H24N4O2/c1-9-5-12(20-13(9)14(19)16-15)8-18-6-10(2)17(4)11(3)7-18/h5,10-11H,6-8,15H2,1-4H3,(H,16,19)
InChIKeyVHMHAIXTZBNQFR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.72
Rot. Bonds3

About 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide

3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 114540671) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID114540671
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(CN2CC(C)N(C)C(C)C2)oc1C(=O)NN
InChIInChI=1S/C14H24N4O2/c1-9-5-12(20-13(9)14(19)16-15)8-18-6-10(2)17(4)11(3)7-18/h5,10-11H,6-8,15H2,1-4H3,(H,16,19)
InChIKeyVHMHAIXTZBNQFR-UHFFFAOYSA-N
XLogP0.72
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

5-[(2,6-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 55213233
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-methylfuran-2-carbohydrazide
CID 115562526
3-methyl-5-[(3-methylpyrrolidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572859
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63572468
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
5-methyl-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]thiophene-2-carbohydrazide
CID 114540697
3-bromo-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzohydrazide
CID 102774778
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63577257

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide (CID 114540671) is 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide is Cc1cc(CN2CC(C)N(C)C(C)C2)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is VHMHAIXTZBNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-5-12(20-13(9)14(19)16-15)8-18-6-10(2)17(4)11(3)7-18/h5,10-11H,6-8,15H2,1-4H3,(H,16,19).
What are the key properties of 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 280.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 114540671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).