1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea

C18H25N5O — CID 75452753

IUPAC1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(CCN(C)C)C(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C18H25N5O/c1-14(2)23(13-12-22(3)4)18(24)19-17-11-10-16(20-21-17)15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H,19,21,24)
InChIKeySYBRQPXBFRWSQY-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.95
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea

1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea (PubChem CID 75452753) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea
PubChem CID75452753
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea
SMILESCC(C)N(CCN(C)C)C(=O)Nc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C18H25N5O/c1-14(2)23(13-12-22(3)4)18(24)19-17-11-10-16(20-21-17)15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H,19,21,24)
InChIKeySYBRQPXBFRWSQY-UHFFFAOYSA-N
XLogP2.95
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea (CID 75452753) is 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea is CC(C)N(CCN(C)C)C(=O)Nc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea?
The InChIKey is SYBRQPXBFRWSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)23(13-12-22(3)4)18(24)19-17-11-10-16(20-21-17)15-8-6-5-7-9-15/h5-11,14H,12-13H2,1-4H3,(H,19,21,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea?
1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea has a molecular weight of 327.43 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(6-phenylpyridazin-3-yl)-1-propan-2-ylurea is sourced from PubChem (CID 75452753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).