N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H22N4O2 — CID 30888141

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C13H22N4O2/c1-9(2)17(10(3)4)8-7-14-13(19)11-5-6-12(18)16-15-11/h5-6,9-10H,7-8H2,1-4H3,(H,14,19)(H,16,18)
InChIKeyVLYDXACZKKEETO-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.62
Rot. Bonds6

About N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30888141) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30888141
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccc(=O)[nH]n1)C(C)C
InChIInChI=1S/C13H22N4O2/c1-9(2)17(10(3)4)8-7-14-13(19)11-5-6-12(18)16-15-11/h5-6,9-10H,7-8H2,1-4H3,(H,14,19)(H,16,18)
InChIKeyVLYDXACZKKEETO-UHFFFAOYSA-N
XLogP0.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30888141) is N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CC(C)N(CCNC(=O)c1ccc(=O)[nH]n1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VLYDXACZKKEETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)17(10(3)4)8-7-14-13(19)11-5-6-12(18)16-15-11/h5-6,9-10H,7-8H2,1-4H3,(H,14,19)(H,16,18).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30888141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).