3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one

C17H15N5O2 — CID 157208624

IUPAC3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(Nc3ncnc4c3CC=C4)cc2O)=NN1
InChIInChI=1S/C17H15N5O2/c23-15-8-10(4-5-11(15)14-6-7-16(24)22-21-14)20-17-12-2-1-3-13(12)18-9-19-17/h1,3-5,8-9,23H,2,6-7H2,(H,22,24)(H,18,19,20)
InChIKeyHFYWUBDNGHJPBE-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.11
Rot. Bonds3

About 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 157208624) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID157208624
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(Nc3ncnc4c3CC=C4)cc2O)=NN1
InChIInChI=1S/C17H15N5O2/c23-15-8-10(4-5-11(15)14-6-7-16(24)22-21-14)20-17-12-2-1-3-13(12)18-9-19-17/h1,3-5,8-9,23H,2,6-7H2,(H,22,24)(H,18,19,20)
InChIKeyHFYWUBDNGHJPBE-UHFFFAOYSA-N
XLogP2.11
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 58094726
3-(2,5-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135990622
3-[4-(7H-purin-6-ylamino)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 118478772
3-(3,5-dichloro-2,4-dihydroxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 162095352
3-[3-fluoro-4-(2-hydroxyphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137473738
3-(4-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 135833413
5-[(5-aminopyrimidin-4-yl)amino]-2-methylisoindole-1,3-dione
CID 79917877
N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]pyridine-2-carboxamide
CID 70375040
6-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108744634
3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137465198
5H-cyclopenta[d]pyrimidin-4-amine
CID 58158388
3-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-ylamino)phenol
CID 117101697

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 157208624) is 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(Nc3ncnc4c3CC=C4)cc2O)=NN1.
What is the InChIKey of 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HFYWUBDNGHJPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-15-8-10(4-5-11(15)14-6-7-16(24)22-21-14)20-17-12-2-1-3-13(12)18-9-19-17/h1,3-5,8-9,23H,2,6-7H2,(H,22,24)(H,18,19,20).
What are the key properties of 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 321.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5H-cyclopenta[d]pyrimidin-4-ylamino)-2-hydroxyphenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 157208624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).