3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide

C13H21N5O2 — CID 68974073

IUPAC3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide
SMILESCc1ccc(N(CCC(=O)NN)CCC(=O)NN)cc1
InChIInChI=1S/C13H21N5O2/c1-10-2-4-11(5-3-10)18(8-6-12(19)16-14)9-7-13(20)17-15/h2-5H,6-9,14-15H2,1H3,(H,16,19)(H,17,20)
InChIKeyPRSBKUFBJDLJFW-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.44
Rot. Bonds7

About 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide

3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide (PubChem CID 68974073) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide.

Molecular Properties

Compound Name3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide
PubChem CID68974073
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide
SMILESCc1ccc(N(CCC(=O)NN)CCC(=O)NN)cc1
InChIInChI=1S/C13H21N5O2/c1-10-2-4-11(5-3-10)18(8-6-12(19)16-14)9-7-13(20)17-15/h2-5H,6-9,14-15H2,1H3,(H,16,19)(H,17,20)
InChIKeyPRSBKUFBJDLJFW-UHFFFAOYSA-N
XLogP-0.44
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide?
The IUPAC name of 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide (CID 68974073) is 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide.
What is the SMILES notation for 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide?
The canonical SMILES for 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide is Cc1ccc(N(CCC(=O)NN)CCC(=O)NN)cc1.
What is the InChIKey of 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide?
The InChIKey is PRSBKUFBJDLJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10-2-4-11(5-3-10)18(8-6-12(19)16-14)9-7-13(20)17-15/h2-5H,6-9,14-15H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide?
3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide has a molecular weight of 279.34 g/mol, XLogP of -0.44, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(3-hydrazinyl-3-oxopropyl)-4-methylanilino)propanehydrazide is sourced from PubChem (CID 68974073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).