5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide

C12H20N4O2 — CID 63577670

IUPAC5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CCCNCC2)cc1C(=O)NN
InChIInChI=1S/C12H20N4O2/c1-9-11(12(17)15-13)7-10(18-9)8-16-5-2-3-14-4-6-16/h7,14H,2-6,8,13H2,1H3,(H,15,17)
InChIKeySCZTVDPVMADFRG-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.01
Rot. Bonds3

About 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide

5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide (PubChem CID 63577670) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound Name5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
PubChem CID63577670
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide
SMILESCc1oc(CN2CCCNCC2)cc1C(=O)NN
InChIInChI=1S/C12H20N4O2/c1-9-11(12(17)15-13)7-10(18-9)8-16-5-2-3-14-4-6-16/h7,14H,2-6,8,13H2,1H3,(H,15,17)
InChIKeySCZTVDPVMADFRG-UHFFFAOYSA-N
XLogP-0.01
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.01
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

2-methyl-5-(thiomorpholin-4-ylmethyl)furan-3-carbohydrazide
CID 63569059
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63574155
2-[1-[[4-(hydrazinecarbonyl)-5-methylfuran-2-yl]methyl]piperidin-4-yl]acetamide
CID 63579170
5-[(3-hydroxypyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63572070
5-[(4-ethoxypiperidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63573018
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
5-methyl-4-(piperazin-1-ylmethyl)furan-2-carbohydrazide
CID 63583235
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
5-[(2,2-dimethyl-3-oxopiperazin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63606344
3-methyl-5-[(3-oxo-1,4-diazepan-1-yl)methyl]furan-2-carbohydrazide
CID 65366701

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
The IUPAC name of 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide (CID 63577670) is 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
The canonical SMILES for 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide is Cc1oc(CN2CCCNCC2)cc1C(=O)NN.
What is the InChIKey of 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
The InChIKey is SCZTVDPVMADFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-11(12(17)15-13)7-10(18-9)8-16-5-2-3-14-4-6-16/h7,14H,2-6,8,13H2,1H3,(H,15,17).
What are the key properties of 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide?
5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide has a molecular weight of 252.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-ylmethyl)-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 63577670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).