2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one

C16H26N4O2 — CID 95616143

IUPAC2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCC1=O
InChIInChI=1S/C16H26N4O2/c1-18-15(21)8-7-14(17-18)16(22)20-11-3-2-6-13(12-20)19-9-4-5-10-19/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeySUUDRSIFMRFGNM-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.07
Rot. Bonds2

About 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 95616143) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID95616143
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCC1=O
InChIInChI=1S/C16H26N4O2/c1-18-15(21)8-7-14(17-18)16(22)20-11-3-2-6-13(12-20)19-9-4-5-10-19/h13H,2-12H2,1H3/t13-/m1/s1
InChIKeySUUDRSIFMRFGNM-CYBMUJFWSA-N
XLogP1.07
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 95616143) is 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCCC[C@@H](N3CCCC3)C2)CCC1=O.
What is the InChIKey of 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is SUUDRSIFMRFGNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-15(21)8-7-14(17-18)16(22)20-11-3-2-6-13(12-20)19-9-4-5-10-19/h13H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 306.41 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3R)-3-pyrrolidin-1-ylazepane-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 95616143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).