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

C18H18N8 — CID 126920272

IUPAC3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C18H18N8/c1-12-18(22-15-5-3-2-4-14(15)21-12)19-8-13-9-25(10-13)17-7-6-16-23-20-11-26(16)24-17/h2-7,11,13H,8-10H2,1H3,(H,19,22)
InChIKeyVFWHATRDFNALQE-UHFFFAOYSA-N
MW346.40 g/mol
LogP1.92
Rot. Bonds4

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

3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine (PubChem CID 126920272) has the molecular formula C18H18N8 and a molecular weight of 346.40 g/mol. Its IUPAC name is 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine
PubChem CID126920272
Molecular FormulaC18H18N8
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1NCC1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C18H18N8/c1-12-18(22-15-5-3-2-4-14(15)21-12)19-8-13-9-25(10-13)17-7-6-16-23-20-11-26(16)24-17/h2-7,11,13H,8-10H2,1H3,(H,19,22)
InChIKeyVFWHATRDFNALQE-UHFFFAOYSA-N
XLogP1.92
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine 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-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 126922482
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 126920249
N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920305
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920247
4-N,4-N-dimethyl-6-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-4,6-diamine
CID 126920285
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-amine
CID 126920280
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920240
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine
CID 126920310
N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920306
4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
CID 106130104
3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62350855
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine (CID 126920272) is 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1NCC1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine?
The InChIKey is VFWHATRDFNALQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N8/c1-12-18(22-15-5-3-2-4-14(15)21-12)19-8-13-9-25(10-13)17-7-6-16-23-20-11-26(16)24-17/h2-7,11,13H,8-10H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine?
3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine has a molecular weight of 346.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 126920272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).