(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide

C11H24N6O — CID 144649728

IUPAC(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide
SMILESCN1CCN(CCCNC(=O)/C(N)=C/NN)CC1
InChIInChI=1S/C11H24N6O/c1-16-5-7-17(8-6-16)4-2-3-14-11(18)10(12)9-15-13/h9,15H,2-8,12-13H2,1H3,(H,14,18)/b10-9-
InChIKeyRESILPUPOVELQN-KTKRTIGZSA-N
MW256.35 g/mol
LogP-2.00
Rot. Bonds6

About (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide

(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide (PubChem CID 144649728) has the molecular formula C11H24N6O and a molecular weight of 256.35 g/mol. Its IUPAC name is (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide
PubChem CID144649728
Molecular FormulaC11H24N6O
Molecular Weight256.35 g/mol
Exact Mass256.20
IUPAC Name(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide
SMILESCN1CCN(CCCNC(=O)/C(N)=C/NN)CC1
InChIInChI=1S/C11H24N6O/c1-16-5-7-17(8-6-16)4-2-3-14-11(18)10(12)9-15-13/h9,15H,2-8,12-13H2,1H3,(H,14,18)/b10-9-
InChIKeyRESILPUPOVELQN-KTKRTIGZSA-N
XLogP-2.00
TPSA99.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide?
The IUPAC name of (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide (CID 144649728) is (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide is CN1CCN(CCCNC(=O)/C(N)=C/NN)CC1.
What is the InChIKey of (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide?
The InChIKey is RESILPUPOVELQN-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H24N6O/c1-16-5-7-17(8-6-16)4-2-3-14-11(18)10(12)9-15-13/h9,15H,2-8,12-13H2,1H3,(H,14,18)/b10-9-.
What are the key properties of (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide?
(Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide has a molecular weight of 256.35 g/mol, XLogP of -2.00, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-hydrazinyl-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 144649728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).