1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine

C19H29N5O — CID 165119475

IUPAC1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine
SMILESCNC(=O)NCc1cccc(C)c1.[H][H].c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C10H14N2O.C9H13N3.H2/c1-8-4-3-5-9(6-8)7-12-10(13)11-2;1-2-7-12(8-3-1)9-5-4-6-10-11-9;/h3-6H,7H2,1-2H3,(H2,11,12,13);4-6H,1-3,7-8H2;1H
InChIKeyVNXRZOUODTWJBG-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.14
Rot. Bonds3

About 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine

1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine (PubChem CID 165119475) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine
PubChem CID165119475
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine
SMILESCNC(=O)NCc1cccc(C)c1.[H][H].c1cnnc(N2CCCCC2)c1
InChIInChI=1S/C10H14N2O.C9H13N3.H2/c1-8-4-3-5-9(6-8)7-12-10(13)11-2;1-2-7-12(8-3-1)9-5-4-6-10-11-9;/h3-6H,7H2,1-2H3,(H2,11,12,13);4-6H,1-3,7-8H2;1H
InChIKeyVNXRZOUODTWJBG-UHFFFAOYSA-N
XLogP3.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine 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-methyl-3-(naphthalen-2-ylmethyl)urea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119785
1-[(3-chloro-4-methylphenyl)methyl]-3-methylurea;3-piperidin-1-ylpyridazine
CID 165119858
1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylurea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119621
1-(3,4-dihydro-2H-chromen-6-ylmethyl)-3-methylurea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119551
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-methylurea;molecular hydrogen;3-piperidin-1-ylpyridazine
CID 165119693
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
1-[2-(2,4-dichlorophenyl)cyclopropyl]-3-methylurea;3-piperidin-1-ylpyridazine
CID 165119967
5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226461
1-[(4-chloro-3-methylphenyl)methyl]-3-methylurea;2-piperidin-1-ylpyrazine
CID 165120065

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine?
The IUPAC name of 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine (CID 165119475) is 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine.
What is the SMILES notation for 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine?
The canonical SMILES for 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine is CNC(=O)NCc1cccc(C)c1.[H][H].c1cnnc(N2CCCCC2)c1.
What is the InChIKey of 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine?
The InChIKey is VNXRZOUODTWJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.C9H13N3.H2/c1-8-4-3-5-9(6-8)7-12-10(13)11-2;1-2-7-12(8-3-1)9-5-4-6-10-11-9;/h3-6H,7H2,1-2H3,(H2,11,12,13);4-6H,1-3,7-8H2;1H.
What are the key properties of 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine?
1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine has a molecular weight of 343.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylphenyl)methyl]urea;molecular hydrogen;3-piperidin-1-ylpyridazine is sourced from PubChem (CID 165119475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).