1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide

C16H15N5O3 — CID 24588173

IUPAC1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1=O
InChIInChI=1S/C16H15N5O3/c1-20-9-11(10-5-3-4-6-13(10)20)15(23)17-18-16(24)12-7-8-14(22)21(2)19-12/h3-9H,1-2H3,(H,17,23)(H,18,24)
InChIKeyYZCCRQPUWXRBFU-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.35
Rot. Bonds2

About 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide

1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide (PubChem CID 24588173) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide
PubChem CID24588173
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide
SMILESCn1nc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1=O
InChIInChI=1S/C16H15N5O3/c1-20-9-11(10-5-3-4-6-13(10)20)15(23)17-18-16(24)12-7-8-14(22)21(2)19-12/h3-9H,1-2H3,(H,17,23)(H,18,24)
InChIKeyYZCCRQPUWXRBFU-UHFFFAOYSA-N
XLogP0.35
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-fluorobenzoyl)-1-methyl-6-oxopyridazine-3-carbohydrazide
CID 51145335
1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
CID 40717499
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
N'-(1-methylindole-3-carbonyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carbohydrazide
CID 55408908
7-methyl-N'-(1-methylindole-3-carbonyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbohydrazide
CID 134048642
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N'-(2,4-dichloro-5-fluorobenzoyl)-1-methylindole-3-carbohydrazide
CID 26815716
4-methyl-N'-(1-methylindole-3-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160995
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide (CID 24588173) is 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide is Cn1nc(C(=O)NNC(=O)c2cn(C)c3ccccc23)ccc1=O.
What is the InChIKey of 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide?
The InChIKey is YZCCRQPUWXRBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-20-9-11(10-5-3-4-6-13(10)20)15(23)17-18-16(24)12-7-8-14(22)21(2)19-12/h3-9H,1-2H3,(H,17,23)(H,18,24).
What are the key properties of 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide?
1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide has a molecular weight of 325.33 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-(1-methyl-6-oxopyridazine-3-carbonyl)indole-3-carbohydrazide is sourced from PubChem (CID 24588173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).