4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide

C13H18N4O2 — CID 55213467

IUPAC4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(CCC#N)C1CC1
InChIInChI=1S/C13H18N4O2/c1-9-10(7-12(19-9)13(18)16-15)8-17(6-2-5-14)11-3-4-11/h7,11H,2-4,6,8,15H2,1H3,(H,16,18)
InChIKeyGMYMWNAXHWWJFQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.07
Rot. Bonds6

About 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide

4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 55213467) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
PubChem CID55213467
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1CN(CCC#N)C1CC1
InChIInChI=1S/C13H18N4O2/c1-9-10(7-12(19-9)13(18)16-15)8-17(6-2-5-14)11-3-4-11/h7,11H,2-4,6,8,15H2,1H3,(H,16,18)
InChIKeyGMYMWNAXHWWJFQ-UHFFFAOYSA-N
XLogP1.07
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.07
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

4-[[2-cyanoethyl(methyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63570132
3-[[2-cyanoethyl(cyclopropyl)amino]methyl]benzohydrazide
CID 63583070
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 78987355
5-[[2-cyanoethyl(cyclopropyl)amino]methyl]furan-2-carboxylic acid
CID 54997252
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63569181
5-methyl-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carbohydrazide
CID 63573240
5-methyl-4-[[methyl(pentan-3-yl)amino]methyl]furan-2-carbohydrazide
CID 63571436
3-[(5-amino-2-methoxyphenyl)methyl-cyclopropylamino]propanenitrile
CID 54996360
4-[[ethyl(3-hydroxypropyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 113469239
4-[[butan-2-yl(ethyl)amino]methyl]-5-methylfuran-2-carbohydrazide
CID 63572329

Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide (CID 55213467) is 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1CN(CCC#N)C1CC1.
What is the InChIKey of 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is GMYMWNAXHWWJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-10(7-12(19-9)13(18)16-15)8-17(6-2-5-14)11-3-4-11/h7,11H,2-4,6,8,15H2,1H3,(H,16,18).
What are the key properties of 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide?
4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 262.31 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyanoethyl(cyclopropyl)amino]methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 55213467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).