N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide

C13H23N5O — CID 90893152

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide
SMILESCN1CCN(CCCNC(=O)C2C=NN=CC2)CC1
InChIInChI=1S/C13H23N5O/c1-17-7-9-18(10-8-17)6-2-4-14-13(19)12-3-5-15-16-11-12/h5,11-12H,2-4,6-10H2,1H3,(H,14,19)
InChIKeyCREWILROKVBHKM-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.18
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide

N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide (PubChem CID 90893152) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide
PubChem CID90893152
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide
SMILESCN1CCN(CCCNC(=O)C2C=NN=CC2)CC1
InChIInChI=1S/C13H23N5O/c1-17-7-9-18(10-8-17)6-2-4-14-13(19)12-3-5-15-16-11-12/h5,11-12H,2-4,6-10H2,1H3,(H,14,19)
InChIKeyCREWILROKVBHKM-UHFFFAOYSA-N
XLogP-0.18
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide (CID 90893152) is N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide is CN1CCN(CCCNC(=O)C2C=NN=CC2)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide?
The InChIKey is CREWILROKVBHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-7-9-18(10-8-17)6-2-4-14-13(19)12-3-5-15-16-11-12/h5,11-12H,2-4,6-10H2,1H3,(H,14,19).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-4,5-dihydropyridazine-4-carboxamide is sourced from PubChem (CID 90893152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).