N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

C12H14N8O — CID 126920616

IUPACN-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
SMILESCN(Cc1cnon1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C12H14N8O/c1-18(5-9-4-14-21-17-9)10-6-19(7-10)12-3-2-11-15-13-8-20(11)16-12/h2-4,8,10H,5-7H2,1H3
InChIKeyKHPVWQGNEUWXHZ-UHFFFAOYSA-N
MW286.30 g/mol
LogP-0.17
Rot. Bonds4

About N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine (PubChem CID 126920616) has the molecular formula C12H14N8O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
PubChem CID126920616
Molecular FormulaC12H14N8O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
SMILESCN(Cc1cnon1)C1CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C12H14N8O/c1-18(5-9-4-14-21-17-9)10-6-19(7-10)12-3-2-11-15-13-8-20(11)16-12/h2-4,8,10H,5-7H2,1H3
InChIKeyKHPVWQGNEUWXHZ-UHFFFAOYSA-N
XLogP-0.17
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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-methyl-N-[(6-methylpyrazin-2-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920593
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920523
N-methyl-N-[(3-methyltriazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920624
N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920637
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920630
N-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920640
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
N-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920667
N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine
CID 126920664
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 126920482
1-methyl-5-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]pyrrolidin-2-one
CID 126920686

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
The IUPAC name of N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine (CID 126920616) is N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine.
What is the SMILES notation for N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
The canonical SMILES for N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine is CN(Cc1cnon1)C1CN(c2ccc3nncn3n2)C1.
What is the InChIKey of N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
The InChIKey is KHPVWQGNEUWXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8O/c1-18(5-9-4-14-21-17-9)10-6-19(7-10)12-3-2-11-15-13-8-20(11)16-12/h2-4,8,10H,5-7H2,1H3.
What are the key properties of N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine?
N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine has a molecular weight of 286.30 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2,5-oxadiazol-3-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine is sourced from PubChem (CID 126920616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).