N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide

C15H13N5O3 — CID 78780136

IUPACN'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H13N5O3/c1-20-8-4-7-11(20)14(22)18-19-15(23)12-9-5-2-3-6-10(9)13(21)17-16-12/h2-8H,1H3,(H,17,21)(H,18,22)(H,19,23)
InChIKeyVJYPCPUONDGIGL-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.34
Rot. Bonds2

About N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide

N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide (PubChem CID 78780136) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
PubChem CID78780136
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC NameN'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C15H13N5O3/c1-20-8-4-7-11(20)14(22)18-19-15(23)12-9-5-2-3-6-10(9)13(21)17-16-12/h2-8H,1H3,(H,17,21)(H,18,22)(H,19,23)
InChIKeyVJYPCPUONDGIGL-UHFFFAOYSA-N
XLogP0.34
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N'-(2-phenylbenzoyl)-3H-phthalazine-1-carbohydrazide
CID 27565264
N'-(2-methylbutanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 134012030
N'-(4-methylpentanoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 26873554
N'-(4-methoxy-1-phenylpyrazole-3-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 24514493
4-oxo-N'-(2,3,4,5,6-pentafluorophenyl)-3H-phthalazine-1-carbohydrazide
CID 17435460
5-methyl-N'-(4-oxo-3H-phthalazine-1-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 40672321
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31356926
N'-(5-bromo-2-hydroxybenzoyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 27163402
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide
CID 18227296
4-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 167744195

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The IUPAC name of N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide (CID 78780136) is N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide.
What is the SMILES notation for N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The canonical SMILES for N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide is Cn1cccc1C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
The InChIKey is VJYPCPUONDGIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-20-8-4-7-11(20)14(22)18-19-15(23)12-9-5-2-3-6-10(9)13(21)17-16-12/h2-8H,1H3,(H,17,21)(H,18,22)(H,19,23).
What are the key properties of N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide?
N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide has a molecular weight of 311.30 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylpyrrole-2-carbonyl)-4-oxo-3H-phthalazine-1-carbohydrazide is sourced from PubChem (CID 78780136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).