N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide

C12H12N4O4 — CID 107261147

IUPACN-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H12N4O4/c13-10(18)8(17)5-14-12(20)9-6-3-1-2-4-7(6)11(19)16-15-9/h1-4,8,17H,5H2,(H2,13,18)(H,14,20)(H,16,19)
InChIKeyAJOLZWUCUVNSGF-UHFFFAOYSA-N
MW276.25 g/mol
LogP-1.50
Rot. Bonds4

About N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 107261147) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID107261147
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC NameN-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESNC(=O)C(O)CNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C12H12N4O4/c13-10(18)8(17)5-14-12(20)9-6-3-1-2-4-7(6)11(19)16-15-9/h1-4,8,17H,5H2,(H2,13,18)(H,14,20)(H,16,19)
InChIKeyAJOLZWUCUVNSGF-UHFFFAOYSA-N
XLogP-1.50
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-2-phenylpropanoic acid
CID 138041211
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
N-[2-(2-amino-2-oxoethoxy)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 103767680
methyl 2-(oxan-4-yl)-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]propanoate
CID 166198112
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 111480109
N-[(3-carbamoylphenyl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 32636396
2-hydroxyethyl 4-oxo-3H-phthalazine-1-carboxylate
CID 47013841
(2R)-4-hydroxy-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]butanoic acid
CID 107822736
N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 103877423

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 107261147) is N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide is NC(=O)C(O)CNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is AJOLZWUCUVNSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c13-10(18)8(17)5-14-12(20)9-6-3-1-2-4-7(6)11(19)16-15-9/h1-4,8,17H,5H2,(H2,13,18)(H,14,20)(H,16,19).
What are the key properties of N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 276.25 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxy-3-oxopropyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 107261147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).