N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine

C19H19N7 — CID 126920305

IUPACN-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
SMILESc1ccc2c(CNCC3CN(c4ccc5nncn5n4)C3)ccnc2c1
InChIInChI=1S/C19H19N7/c1-2-4-17-16(3-1)15(7-8-21-17)10-20-9-14-11-25(12-14)19-6-5-18-23-22-13-26(18)24-19/h1-8,13-14,20H,9-12H2
InChIKeyKWOFHATVQIDNCY-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.90
Rot. Bonds5

About N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine

N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine (PubChem CID 126920305) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
PubChem CID126920305
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
SMILESc1ccc2c(CNCC3CN(c4ccc5nncn5n4)C3)ccnc2c1
InChIInChI=1S/C19H19N7/c1-2-4-17-16(3-1)15(7-8-21-17)10-20-9-14-11-25(12-14)19-6-5-18-23-22-13-26(18)24-19/h1-8,13-14,20H,9-12H2
InChIKeyKWOFHATVQIDNCY-UHFFFAOYSA-N
XLogP1.90
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1H-indol-3-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920306
1-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-(quinolin-4-ylmethyl)methanamine
CID 126922517
3-methyl-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoxalin-2-amine
CID 126920272
3-[[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]methyl]benzonitrile
CID 126920303
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126920247
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 126920249
6-(5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155798898
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]thiolan-3-amine
CID 126920310
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
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

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
The IUPAC name of N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine (CID 126920305) is N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine.
What is the SMILES notation for N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
The canonical SMILES for N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine is c1ccc2c(CNCC3CN(c4ccc5nncn5n4)C3)ccnc2c1.
What is the InChIKey of N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
The InChIKey is KWOFHATVQIDNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-2-4-17-16(3-1)15(7-8-21-17)10-20-9-14-11-25(12-14)19-6-5-18-23-22-13-26(18)24-19/h1-8,13-14,20H,9-12H2.
What are the key properties of N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine?
N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine has a molecular weight of 345.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)-1-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine is sourced from PubChem (CID 126920305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).