N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide

C12H14N4O3 — CID 62639645

IUPACN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C12H14N4O3/c1-6(13-2)10(17)14-8-5-3-4-7-9(8)12(19)16-15-11(7)18/h3-6,13H,1-2H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyUMTNAADBRSKRKN-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.24
Rot. Bonds3

About N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide (PubChem CID 62639645) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide
PubChem CID62639645
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC NameN-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C12H14N4O3/c1-6(13-2)10(17)14-8-5-3-4-7-9(8)12(19)16-15-11(7)18/h3-6,13H,1-2H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyUMTNAADBRSKRKN-UHFFFAOYSA-N
XLogP-0.24
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamate
CID 116653958
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-propylurea
CID 110749128
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
5-[1-(2-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
CID 43824684
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
5-(3-methylpentan-2-ylamino)-2,3-dihydrophthalazine-1,4-dione
CID 43201114
5-[1-(3-hydroxyphenyl)ethylamino]-2,3-dihydrophthalazine-1,4-dione
CID 43824689
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 24709508
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
N-(2,1,3-benzoselenadiazol-4-yl)-2-(methylamino)propanamide
CID 62637659
2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)furan-3-carboxamide
CID 106685230

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide?
The IUPAC name of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide (CID 62639645) is N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide?
The canonical SMILES for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide?
The InChIKey is UMTNAADBRSKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-6(13-2)10(17)14-8-5-3-4-7-9(8)12(19)16-15-11(7)18/h3-6,13H,1-2H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide?
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide has a molecular weight of 262.27 g/mol, XLogP of -0.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 62639645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).