ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one

C24H27N7O — CID 90759547

IUPACethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCC.CC.O=c1cc2[nH]nc(NCc3ncnc4ccccc34)c2nn1-c1ccccc1
InChIInChI=1S/C20H15N7O.2C2H6/c28-18-10-16-19(26-27(18)13-6-2-1-3-7-13)20(25-24-16)21-11-17-14-8-4-5-9-15(14)22-12-23-17;2*1-2/h1-10,12,24H,11H2,(H,21,25);2*1-2H3
InChIKeyWRNHEWVISUXNGR-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.72
Rot. Bonds4

About ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one

ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 90759547) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Nameethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID90759547
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Nameethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCC.CC.O=c1cc2[nH]nc(NCc3ncnc4ccccc34)c2nn1-c1ccccc1
InChIInChI=1S/C20H15N7O.2C2H6/c28-18-10-16-19(26-27(18)13-6-2-1-3-7-13)20(25-24-16)21-11-17-14-8-4-5-9-15(14)22-12-23-17;2*1-2/h1-10,12,24H,11H2,(H,21,25);2*1-2H3
InChIKeyWRNHEWVISUXNGR-UHFFFAOYSA-N
XLogP4.72
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(quinazolin-4-ylmethyl)aniline
CID 70295274
3-[(quinazolin-4-ylamino)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 167977348
3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 10381263
7-bromo-2-phenyl-5H-pyridazino[4,3-b]indol-3-one
CID 137239094
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]quinazolin-4-amine
CID 86768011
6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133277823
5-[2-(dimethylamino)ethylamino]-2-phenyl-6-(1H-1,2,4-triazol-5-yl)pyridazin-3-one;hydrochloride
CID 162319899
1-(2-methoxyethyl)-5-[(quinazolin-4-ylamino)methyl]pyrimidine-2,4-dione
CID 154768726
3-methyl-2-phenyl-8-(quinolin-4-ylmethylamino)-2,7-naphthyridin-1-one
CID 90468576
5,6-diiodo-2-phenylpyridazin-3-one
CID 89243165
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
N-(5-methyl-1-phenylpyrazol-4-yl)quinazolin-4-amine
CID 133387317

Frequently Asked Questions

What is the IUPAC name of ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 90759547) is ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one is CC.CC.O=c1cc2[nH]nc(NCc3ncnc4ccccc34)c2nn1-c1ccccc1.
What is the InChIKey of ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is WRNHEWVISUXNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O.2C2H6/c28-18-10-16-19(26-27(18)13-6-2-1-3-7-13)20(25-24-16)21-11-17-14-8-4-5-9-15(14)22-12-23-17;2*1-2/h1-10,12,24H,11H2,(H,21,25);2*1-2H3.
What are the key properties of ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one?
ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 429.53 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-phenyl-3-(quinazolin-4-ylmethylamino)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 90759547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).