N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

C13H18N4O2 — CID 63253924

IUPACN-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCN(C(=O)Cn1nc2c(cc1=O)CNCC2)C1CC1
InChIInChI=1S/C13H18N4O2/c1-16(10-2-3-10)13(19)8-17-12(18)6-9-7-14-5-4-11(9)15-17/h6,10,14H,2-5,7-8H2,1H3
InChIKeyBHCQUXXVKOGDMZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.49
Rot. Bonds3

About N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (PubChem CID 63253924) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
PubChem CID63253924
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCN(C(=O)Cn1nc2c(cc1=O)CNCC2)C1CC1
InChIInChI=1S/C13H18N4O2/c1-16(10-2-3-10)13(19)8-17-12(18)6-9-7-14-5-4-11(9)15-17/h6,10,14H,2-5,7-8H2,1H3
InChIKeyBHCQUXXVKOGDMZ-UHFFFAOYSA-N
XLogP-0.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (CID 63253924) is N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is CN(C(=O)Cn1nc2c(cc1=O)CNCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The InChIKey is BHCQUXXVKOGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-16(10-2-3-10)13(19)8-17-12(18)6-9-7-14-5-4-11(9)15-17/h6,10,14H,2-5,7-8H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide has a molecular weight of 262.31 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 63253924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).