5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C20H22ClN5O2 — CID 146465481

IUPAC5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CN(c3cccnn3)C2)C1=O
InChIInChI=1S/C20H22ClN5O2/c1-14(2)25-11-18(27)26(10-15-5-7-16(21)8-6-15)20(19(25)28)12-24(13-20)17-4-3-9-22-23-17/h3-9,14H,10-13H2,1-2H3
InChIKeyHZIVNLYVWBYFKR-UHFFFAOYSA-N
MW399.88 g/mol
LogP1.97
Rot. Bonds4

About 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione

5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 146465481) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID146465481
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC Name5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CN(c3cccnn3)C2)C1=O
InChIInChI=1S/C20H22ClN5O2/c1-14(2)25-11-18(27)26(10-15-5-7-16(21)8-6-15)20(19(25)28)12-24(13-20)17-4-3-9-22-23-17/h3-9,14H,10-13H2,1-2H3
InChIKeyHZIVNLYVWBYFKR-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 146465481) is 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is CC(C)N1CC(=O)N(Cc2ccc(Cl)cc2)C2(CN(c3cccnn3)C2)C1=O.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is HZIVNLYVWBYFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O2/c1-14(2)25-11-18(27)26(10-15-5-7-16(21)8-6-15)20(19(25)28)12-24(13-20)17-4-3-9-22-23-17/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 399.88 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 146465481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).