1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea

C16H19N7O2 — CID 31105006

IUPAC1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea
SMILESCc1nc(NC(=O)NCCN2N=C(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C16H19N7O2/c1-11-18-15(21-20-11)19-16(25)17-9-10-23-14(24)8-7-13(22-23)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H3,17,18,19,20,21,25)
InChIKeySJHBPYGMCLDWHX-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.26
Rot. Bonds5

About 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea

1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea (PubChem CID 31105006) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea
PubChem CID31105006
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea
SMILESCc1nc(NC(=O)NCCN2N=C(c3ccccc3)CCC2=O)n[nH]1
InChIInChI=1S/C16H19N7O2/c1-11-18-15(21-20-11)19-16(25)17-9-10-23-14(24)8-7-13(22-23)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H3,17,18,19,20,21,25)
InChIKeySJHBPYGMCLDWHX-UHFFFAOYSA-N
XLogP1.26
TPSA115.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)urea
CID 107653962
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(2-phenylethyl)propanamide
CID 6624469
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]cyclohexane-1-carboxamide
CID 135106333
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
N-cyclopentyl-2-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethylamino]propanamide
CID 50970834
3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 126458708
ethyl 4-[3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanoylamino]benzoate
CID 45106345
3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 46372556
N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 45107088
1-ethyl-3-(5-phenyl-1H-1,2,4-triazol-3-yl)urea
CID 4885272
2-[2-[(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
CID 70743618
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110473163

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea (CID 31105006) is 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea is Cc1nc(NC(=O)NCCN2N=C(c3ccccc3)CCC2=O)n[nH]1.
What is the InChIKey of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
The InChIKey is SJHBPYGMCLDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-11-18-15(21-20-11)19-16(25)17-9-10-23-14(24)8-7-13(22-23)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H3,17,18,19,20,21,25).
What are the key properties of 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea?
1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea has a molecular weight of 341.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 31105006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).