3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea

C17H25N5O — CID 126917267

IUPAC3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea
SMILESCN(C(=O)NC1CCCC1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C17H25N5O/c1-21(17(23)18-13-4-2-3-5-13)14-10-22(11-14)16-9-8-15(19-20-16)12-6-7-12/h8-9,12-14H,2-7,10-11H2,1H3,(H,18,23)
InChIKeyWQBXITJOUKZSMY-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.13
Rot. Bonds4

About 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea

3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea (PubChem CID 126917267) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea.

Molecular Properties

Compound Name3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea
PubChem CID126917267
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea
SMILESCN(C(=O)NC1CCCC1)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C17H25N5O/c1-21(17(23)18-13-4-2-3-5-13)14-10-22(11-14)16-9-8-15(19-20-16)12-6-7-12/h8-9,12-14H,2-7,10-11H2,1H3,(H,18,23)
InChIKeyWQBXITJOUKZSMY-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyloxolane-2-carboxamide
CID 126917260
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylquinoxaline-2-carboxamide
CID 126917242
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrrolidine-1-sulfonamide
CID 126917333
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 126917233
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,1-dimethylimidazole-2-sulfonamide
CID 126917414
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 126917285
1-methyl-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-(oxan-4-yl)urea
CID 126921122
2-N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126917402
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 126917388
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]azetidin-3-amine
CID 126917500
3-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]-1-methylsulfonylpiperidin-3-ol
CID 126917626
1-(6-cyclopropylpyridazin-3-yl)-N-[(1,1-dioxothiolan-3-yl)methyl]-N-methylazetidin-3-amine
CID 126917570

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea?
The IUPAC name of 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea (CID 126917267) is 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea.
What is the SMILES notation for 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea?
The canonical SMILES for 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea is CN(C(=O)NC1CCCC1)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea?
The InChIKey is WQBXITJOUKZSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-21(17(23)18-13-4-2-3-5-13)14-10-22(11-14)16-9-8-15(19-20-16)12-6-7-12/h8-9,12-14H,2-7,10-11H2,1H3,(H,18,23).
What are the key properties of 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea?
3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea has a molecular weight of 315.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-1-methylurea is sourced from PubChem (CID 126917267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).