1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea

C18H29N5O2 — CID 126917727

IUPAC1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea
SMILESCC(C)(C)c1ccc(N2CC(CNC(=O)NC3CCOCC3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-18(2,3)15-4-5-16(22-21-15)23-11-13(12-23)10-19-17(24)20-14-6-8-25-9-7-14/h4-5,13-14H,6-12H2,1-3H3,(H2,19,20,24)
InChIKeyGEDICFKLRAHWRC-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.69
Rot. Bonds4

About 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea

1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea (PubChem CID 126917727) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea
PubChem CID126917727
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea
SMILESCC(C)(C)c1ccc(N2CC(CNC(=O)NC3CCOCC3)C2)nn1
InChIInChI=1S/C18H29N5O2/c1-18(2,3)15-4-5-16(22-21-15)23-11-13(12-23)10-19-17(24)20-14-6-8-25-9-7-14/h4-5,13-14H,6-12H2,1-3H3,(H2,19,20,24)
InChIKeyGEDICFKLRAHWRC-UHFFFAOYSA-N
XLogP1.69
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea 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

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126917753
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 126917778
2-(1,2-benzoxazol-3-yl)-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]acetamide
CID 126917734
[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352719
N-[(5-bromofuran-2-yl)methyl]-1-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methanamine
CID 126917866
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126917690
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 126917998
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine
CID 126918010
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
CID 126917924
N-tert-butyl-1-(6-tert-butylpyridazin-3-yl)azetidine-3-carboxamide
CID 165434484
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126917974
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]oxolane-3-carboxamide
CID 126916955

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea (CID 126917727) is 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea is CC(C)(C)c1ccc(N2CC(CNC(=O)NC3CCOCC3)C2)nn1.
What is the InChIKey of 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea?
The InChIKey is GEDICFKLRAHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-18(2,3)15-4-5-16(22-21-15)23-11-13(12-23)10-19-17(24)20-14-6-8-25-9-7-14/h4-5,13-14H,6-12H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea?
1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea has a molecular weight of 347.46 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 126917727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).