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

C12H18N4O3 — CID 65366701

IUPAC3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(CN2CCCNC(=O)C2)oc1C(=O)NN
InChIInChI=1S/C12H18N4O3/c1-8-5-9(19-11(8)12(18)15-13)6-16-4-2-3-14-10(17)7-16/h5H,2-4,6-7,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyDYDRFDJSKLCXRP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.49
Rot. Bonds3

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

3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 65366701) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
PubChem CID65366701
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
SMILESCc1cc(CN2CCCNC(=O)C2)oc1C(=O)NN
InChIInChI=1S/C12H18N4O3/c1-8-5-9(19-11(8)12(18)15-13)6-16-4-2-3-14-10(17)7-16/h5H,2-4,6-7,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyDYDRFDJSKLCXRP-UHFFFAOYSA-N
XLogP-0.49
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
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-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
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
3-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-2-carboxylic acid
CID 63002732
5-[(4-ethyl-2,3-dioxopiperazin-1-yl)methyl]-3-methylfuran-2-carbohydrazide
CID 63571845
3-methyl-5-[(3,4,5-trimethylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 114540671
1-[[5-(hydrazinecarbonyl)-4-methylfuran-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 63585162
5-[(3-oxopiperazin-1-yl)methyl]furan-3-carbohydrazide
CID 63568674
2-[(3-oxo-1,4-diazepan-1-yl)methyl]benzohydrazide
CID 65366363
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
CID 63577670
3-methyl-5-[(4-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 63578343

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide (CID 65366701) is 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide is Cc1cc(CN2CCCNC(=O)C2)oc1C(=O)NN.
What is the InChIKey of 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is DYDRFDJSKLCXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-5-9(19-11(8)12(18)15-13)6-16-4-2-3-14-10(17)7-16/h5H,2-4,6-7,13H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide?
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 266.30 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 65366701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).