1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one

C9H10N4O2 — CID 13033105

IUPAC1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one
SMILESO=c1[nH]nc(NCCO)c2ccncc12
InChIInChI=1S/C9H10N4O2/c14-4-3-11-8-6-1-2-10-5-7(6)9(15)13-12-8/h1-2,5,14H,3-4H2,(H,11,12)(H,13,15)
InChIKeyRQTNSJJHPBUBFM-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.28
Rot. Bonds3

About 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one

1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 13033105) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID13033105
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one
SMILESO=c1[nH]nc(NCCO)c2ccncc12
InChIInChI=1S/C9H10N4O2/c14-4-3-11-8-6-1-2-10-5-7(6)9(15)13-12-8/h1-2,5,14H,3-4H2,(H,11,12)(H,13,15)
InChIKeyRQTNSJJHPBUBFM-UHFFFAOYSA-N
XLogP-0.28
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-hydroxyethylamino)-1H-pyridazin-6-one
CID 71322666
phenyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamate
CID 20819597
4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
CID 142215324
2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
CID 119085133
4-(pyridin-4-ylmethyl)-2H-pyrido[3,4-d]pyridazin-1-one
CID 10799933
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]thiophene-2-carboxamide
CID 20819526
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide
CID 20819446
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-phenylbut-3-enamide
CID 91248532
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 20819490
2,2-dichloro-1-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]cyclopropane-1-carboxamide
CID 20818805
1-diethoxyphosphoryl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea
CID 20818795
6-(2-hydroxyethylamino)isoquinoline-5,8-dione
CID 45093493

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one (CID 13033105) is 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one is O=c1[nH]nc(NCCO)c2ccncc12.
What is the InChIKey of 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is RQTNSJJHPBUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c14-4-3-11-8-6-1-2-10-5-7(6)9(15)13-12-8/h1-2,5,14H,3-4H2,(H,11,12)(H,13,15).
What are the key properties of 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one?
1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 206.20 g/mol, XLogP of -0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 13033105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).