N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

C17H24N6O3 — CID 91760022

IUPACN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESO=C1CCC(CCC(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)=NN1
InChIInChI=1S/C17H24N6O3/c24-9-14-20-22-17(23(14)13-3-4-13)10-7-12(8-10)18-15(25)5-1-11-2-6-16(26)21-19-11/h10,12-13,24H,1-9H2,(H,18,25)(H,21,26)
InChIKeyJAZMBQIZHDMMRB-UHFFFAOYSA-N
MW360.42 g/mol
LogP0.51
Rot. Bonds7

About N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide

N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (PubChem CID 91760022) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
PubChem CID91760022
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC NameN-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide
SMILESO=C1CCC(CCC(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)=NN1
InChIInChI=1S/C17H24N6O3/c24-9-14-20-22-17(23(14)13-3-4-13)10-7-12(8-10)18-15(25)5-1-11-2-6-16(26)21-19-11/h10,12-13,24H,1-9H2,(H,18,25)(H,21,26)
InChIKeyJAZMBQIZHDMMRB-UHFFFAOYSA-N
XLogP0.51
TPSA121.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide (CID 91760022) is N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is O=C1CCC(CCC(=O)NC2CC(c3nnc(CO)n3C3CC3)C2)=NN1.
What is the InChIKey of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
The InChIKey is JAZMBQIZHDMMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O3/c24-9-14-20-22-17(23(14)13-3-4-13)10-7-12(8-10)18-15(25)5-1-11-2-6-16(26)21-19-11/h10,12-13,24H,1-9H2,(H,18,25)(H,21,26).
What are the key properties of N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide?
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide has a molecular weight of 360.42 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 91760022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).