1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea

C17H19N7O — CID 134803797

IUPAC1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea
SMILESCc1nnc2ccc(N3CCC(NC(=O)Nc4ccccc4)C3)nn12
InChIInChI=1S/C17H19N7O/c1-12-20-21-15-7-8-16(22-24(12)15)23-10-9-14(11-23)19-17(25)18-13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3,(H2,18,19,25)
InChIKeyADAQPGYKGWIUIG-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.83
Rot. Bonds3

About 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea

1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea (PubChem CID 134803797) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea
PubChem CID134803797
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea
SMILESCc1nnc2ccc(N3CCC(NC(=O)Nc4ccccc4)C3)nn12
InChIInChI=1S/C17H19N7O/c1-12-20-21-15-7-8-16(22-24(12)15)23-10-9-14(11-23)19-17(25)18-13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3,(H2,18,19,25)
InChIKeyADAQPGYKGWIUIG-UHFFFAOYSA-N
XLogP1.83
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]urea
CID 134802292
4-fluoro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 134801995
N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 134801769
N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 127447427
4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134801544
(3R)-N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 39310132
N-cyclooctyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 42653402
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]carbamic acid
CID 129161486
2-methyl-N-[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]propanamide
CID 134802200
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-phenylpiperidine-3-carboxamide
CID 133488886
1-(2-chlorophenyl)-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]urea
CID 121022910

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea?
The IUPAC name of 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea (CID 134803797) is 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea is Cc1nnc2ccc(N3CCC(NC(=O)Nc4ccccc4)C3)nn12.
What is the InChIKey of 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea?
The InChIKey is ADAQPGYKGWIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-12-20-21-15-7-8-16(22-24(12)15)23-10-9-14(11-23)19-17(25)18-13-5-3-2-4-6-13/h2-8,14H,9-11H2,1H3,(H2,18,19,25).
What are the key properties of 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea?
1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea has a molecular weight of 337.39 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-3-phenylurea is sourced from PubChem (CID 134803797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).