N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C14H17N5O3 — CID 71789491

IUPACN-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCCn1ncccc1=O)c1cnn2c1OCCC2
InChIInChI=1S/C14H17N5O3/c20-12-4-1-6-16-18(12)7-2-5-15-13(21)11-10-17-19-8-3-9-22-14(11)19/h1,4,6,10H,2-3,5,7-9H2,(H,15,21)
InChIKeyMVVKYSMLRPCMME-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.04
Rot. Bonds5

About N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789491) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789491
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC NameN-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NCCCn1ncccc1=O)c1cnn2c1OCCC2
InChIInChI=1S/C14H17N5O3/c20-12-4-1-6-16-18(12)7-2-5-15-13(21)11-10-17-19-8-3-9-22-14(11)19/h1,4,6,10H,2-3,5,7-9H2,(H,15,21)
InChIKeyMVVKYSMLRPCMME-UHFFFAOYSA-N
XLogP0.04
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789491) is N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NCCCn1ncccc1=O)c1cnn2c1OCCC2.
What is the InChIKey of N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is MVVKYSMLRPCMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c20-12-4-1-6-16-18(12)7-2-5-15-13(21)11-10-17-19-8-3-9-22-14(11)19/h1,4,6,10H,2-3,5,7-9H2,(H,15,21).
What are the key properties of N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-oxopyridazin-1-yl)propyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).