6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one

C19H23N5O2 — CID 126916786

IUPAC6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCc1ccc(N2CC(CNC(C)c3ccc4c(c3)NC(=O)CO4)C2)nn1
InChIInChI=1S/C19H23N5O2/c1-12-3-6-18(23-22-12)24-9-14(10-24)8-20-13(2)15-4-5-17-16(7-15)21-19(25)11-26-17/h3-7,13-14,20H,8-11H2,1-2H3,(H,21,25)
InChIKeyBBUUBNKIWJNAIV-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.90
Rot. Bonds5

About 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one

6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 126916786) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID126916786
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCc1ccc(N2CC(CNC(C)c3ccc4c(c3)NC(=O)CO4)C2)nn1
InChIInChI=1S/C19H23N5O2/c1-12-3-6-18(23-22-12)24-9-14(10-24)8-20-13(2)15-4-5-17-16(7-15)21-19(25)11-26-17/h3-7,13-14,20H,8-11H2,1-2H3,(H,21,25)
InChIKeyBBUUBNKIWJNAIV-UHFFFAOYSA-N
XLogP1.90
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one 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

6-[1-(thiolan-3-ylmethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 107165855
5-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]pentanamide
CID 103529812
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]ethylurea
CID 83110297
6-[1-(2-pyrrolidin-1-ylethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43203429
6-[(1S)-1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 34541568
6-[1-[(5-methylfuran-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 51078445
6-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 84598824
3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanenitrile
CID 43207723
2-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]acetic acid
CID 43135032
6-[1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethyl]-4H-1,4-benzoxazin-3-one
CID 61004323
6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
methyl 3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoate
CID 43322249

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one (CID 126916786) is 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one is Cc1ccc(N2CC(CNC(C)c3ccc4c(c3)NC(=O)CO4)C2)nn1.
What is the InChIKey of 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is BBUUBNKIWJNAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-12-3-6-18(23-22-12)24-9-14(10-24)8-20-13(2)15-4-5-17-16(7-15)21-19(25)11-26-17/h3-7,13-14,20H,8-11H2,1-2H3,(H,21,25).
What are the key properties of 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one?
6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 353.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methylamino]ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 126916786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).