4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide

C12H14N4O3 — CID 24709508

IUPAC4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
SMILESNCCCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C12H14N4O3/c13-6-2-5-9(17)14-8-4-1-3-7-10(8)12(19)16-15-11(7)18/h1,3-4H,2,5-6,13H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyBUKMQDPNMDNTIS-UHFFFAOYSA-N
MW262.27 g/mol
LogP-0.11
Rot. Bonds4

About 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide

4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide (PubChem CID 24709508) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
PubChem CID24709508
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
SMILESNCCCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C12H14N4O3/c13-6-2-5-9(17)14-8-4-1-3-7-10(8)12(19)16-15-11(7)18/h1,3-4H,2,5-6,13H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyBUKMQDPNMDNTIS-UHFFFAOYSA-N
XLogP-0.11
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-phenoxypropanamide
CID 110734418
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
CID 79842932
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 102155792
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-(4-fluorophenoxy)acetamide
CID 110734458
4-chloro-N-[2-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)amino]-2-oxoethyl]benzamide
CID 48735941
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107020639
4-amino-N-(2-iodophenyl)butanamide
CID 28978404
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-propylurea
CID 110749128

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide?
The IUPAC name of 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide (CID 24709508) is 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide.
What is the SMILES notation for 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide?
The canonical SMILES for 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide is NCCCC(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide?
The InChIKey is BUKMQDPNMDNTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c13-6-2-5-9(17)14-8-4-1-3-7-10(8)12(19)16-15-11(7)18/h1,3-4H,2,5-6,13H2,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide?
4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide has a molecular weight of 262.27 g/mol, XLogP of -0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide is sourced from PubChem (CID 24709508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).