4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol

C13H12ClN5O — CID 171357865

IUPAC4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol
SMILESOc1cccc2c(NCCc3cnc[nH]3)nnc(Cl)c12
InChIInChI=1S/C13H12ClN5O/c14-12-11-9(2-1-3-10(11)20)13(19-18-12)16-5-4-8-6-15-7-17-8/h1-3,6-7,20H,4-5H2,(H,15,17)(H,16,19)
InChIKeyVKHSOOWPMGRMDF-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.37
Rot. Bonds4

About 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol

4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol (PubChem CID 171357865) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol.

Molecular Properties

Compound Name4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol
PubChem CID171357865
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol
SMILESOc1cccc2c(NCCc3cnc[nH]3)nnc(Cl)c12
InChIInChI=1S/C13H12ClN5O/c14-12-11-9(2-1-3-10(11)20)13(19-18-12)16-5-4-8-6-15-7-17-8/h1-3,6-7,20H,4-5H2,(H,15,17)(H,16,19)
InChIKeyVKHSOOWPMGRMDF-UHFFFAOYSA-N
XLogP2.37
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-naphthaldehyde [4-(1H-imidazol-2-yl)-1-phthalazinyl]hydrazone
CID 135490259
1-[[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135444472
3-[6-[(3-Chlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 58857765
4-chloro-2-[3-(1-isoquinolyl)-1H-1,2,4-triazol-5-yl]phenol
CID 135429498
2-[4-(2-chloro-6-fluorophenyl)-6-[2-(1H-imidazol-5-yl)ethylamino]-2-pyridinyl]phenol
CID 137306785
4-[(E)-[[4-(1H-imidazol-2-yl)phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135580223
2-[3-(3-chloro-5-hydroxyphenyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-4-yl]pyrazol-1-yl]acetonitrile
CID 24752754
3-[1-(aminomethyl)-4-[2-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-4-yl]pyrazol-3-yl]-5-chlorophenol
CID 71166881
5-(1H-imidazol-4-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136253021
5-(1H-imidazol-2-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136253032
2-[6-(Prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 136597135
2-[6-(Methylamino)pyridazin-3-yl]-5-(1-methylimidazol-4-yl)phenol
CID 136626062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol?
The IUPAC name of 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol (CID 171357865) is 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol.
What is the SMILES notation for 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol?
The canonical SMILES for 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol is Oc1cccc2c(NCCc3cnc[nH]3)nnc(Cl)c12.
What is the InChIKey of 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol?
The InChIKey is VKHSOOWPMGRMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c14-12-11-9(2-1-3-10(11)20)13(19-18-12)16-5-4-8-6-15-7-17-8/h1-3,6-7,20H,4-5H2,(H,15,17)(H,16,19).
What are the key properties of 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol?
4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol has a molecular weight of 289.73 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(1H-imidazol-5-yl)ethylamino]phthalazin-5-ol is sourced from PubChem (CID 171357865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).