N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide

C15H17N5O — CID 66965441

IUPACN'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1cccc(-c2n[nH]c(=O)c3c2NCCC3)c1
InChIInChI=1S/C15H17N5O/c1-9(16)18-11-5-2-4-10(8-11)13-14-12(6-3-7-17-14)15(21)20-19-13/h2,4-5,8,17H,3,6-7H2,1H3,(H2,16,18)(H,20,21)
InChIKeyNSPIKUUKRRDEFJ-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.80
Rot. Bonds2

About N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide

N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide (PubChem CID 66965441) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide
PubChem CID66965441
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1cccc(-c2n[nH]c(=O)c3c2NCCC3)c1
InChIInChI=1S/C15H17N5O/c1-9(16)18-11-5-2-4-10(8-11)13-14-12(6-3-7-17-14)15(21)20-19-13/h2,4-5,8,17H,3,6-7H2,1H3,(H2,16,18)(H,20,21)
InChIKeyNSPIKUUKRRDEFJ-UHFFFAOYSA-N
XLogP1.80
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide?
The IUPAC name of N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide (CID 66965441) is N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide.
What is the SMILES notation for N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide?
The canonical SMILES for N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide is C/C(N)=N\c1cccc(-c2n[nH]c(=O)c3c2NCCC3)c1.
What is the InChIKey of N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide?
The InChIKey is NSPIKUUKRRDEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9(16)18-11-5-2-4-10(8-11)13-14-12(6-3-7-17-14)15(21)20-19-13/h2,4-5,8,17H,3,6-7H2,1H3,(H2,16,18)(H,20,21).
What are the key properties of N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide?
N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide has a molecular weight of 283.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)phenyl]ethanimidamide is sourced from PubChem (CID 66965441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).