2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide

C18H17N7O2 — CID 126920427

IUPAC2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
SMILESCN(C(=O)Cc1noc2ccccc12)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C18H17N7O2/c1-23(18(26)8-14-13-4-2-3-5-15(13)27-22-14)12-9-24(10-12)17-7-6-16-20-19-11-25(16)21-17/h2-7,11-12H,8-10H2,1H3
InChIKeyNDHWCBUYWOIFCT-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.16
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide

2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide (PubChem CID 126920427) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
PubChem CID126920427
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
SMILESCN(C(=O)Cc1noc2ccccc12)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C18H17N7O2/c1-23(18(26)8-14-13-4-2-3-5-15(13)27-22-14)12-9-24(10-12)17-7-6-16-20-19-11-25(16)21-17/h2-7,11-12H,8-10H2,1H3
InChIKeyNDHWCBUYWOIFCT-UHFFFAOYSA-N
XLogP1.16
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-2-(1-methylindol-3-yl)-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide
CID 126920425
N-(4-aminocyclohexyl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 79113125
2-(1,2-benzoxazol-3-yl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119444392
N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126920414
6-(dimethylamino)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazine-3-carboxamide
CID 126920452
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920525
N-(azetidin-3-yl)-2-(1,2-benzoxazol-3-yl)-N-ethylacetamide
CID 66182098
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-indole-5-carboxamide
CID 134161665
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide (CID 126920427) is 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide is CN(C(=O)Cc1noc2ccccc12)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
The InChIKey is NDHWCBUYWOIFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-23(18(26)8-14-13-4-2-3-5-15(13)27-22-14)12-9-24(10-12)17-7-6-16-20-19-11-25(16)21-17/h2-7,11-12H,8-10H2,1H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide has a molecular weight of 363.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]acetamide is sourced from PubChem (CID 126920427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).