5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide

C13H20N4O2 — CID 63577895

IUPAC5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCN(C3CC3)CC2)o1
InChIInChI=1S/C13H20N4O2/c14-15-13(18)12-4-3-11(19-12)9-16-5-7-17(8-6-16)10-1-2-10/h3-4,10H,1-2,5-9,14H2,(H,15,18)
InChIKeyDXOUDUVOMYJKME-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.16
Rot. Bonds4

About 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide

5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63577895) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63577895
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CN2CCN(C3CC3)CC2)o1
InChIInChI=1S/C13H20N4O2/c14-15-13(18)12-4-3-11(19-12)9-16-5-7-17(8-6-16)10-1-2-10/h3-4,10H,1-2,5-9,14H2,(H,15,18)
InChIKeyDXOUDUVOMYJKME-UHFFFAOYSA-N
XLogP0.16
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide (CID 63577895) is 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(CN2CCN(C3CC3)CC2)o1.
What is the InChIKey of 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is DXOUDUVOMYJKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-15-13(18)12-4-3-11(19-12)9-16-5-7-17(8-6-16)10-1-2-10/h3-4,10H,1-2,5-9,14H2,(H,15,18).
What are the key properties of 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide?
5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide has a molecular weight of 264.33 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopropylpiperazin-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63577895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).