N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H18N6O — CID 133312004

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1C(C)Nc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C18H18N6O/c1-11(17-12(2)23-25-13(17)3)19-15-9-10-16-20-21-18(24(16)22-15)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,19,22)
InChIKeySYOQEIVVCZNOEN-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133312004) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133312004
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1C(C)Nc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C18H18N6O/c1-11(17-12(2)23-25-13(17)3)19-15-9-10-16-20-21-18(24(16)22-15)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,19,22)
InChIKeySYOQEIVVCZNOEN-UHFFFAOYSA-N
XLogP3.57
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 154781604
N-[1-(oxolan-3-yloxy)propan-2-yl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133348423
N,N-dimethyl-3-phenyl-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 71685166
3-(furan-2-yl)-3-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propan-1-ol
CID 133490838
6-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridin-2-amine
CID 79237569
3-phenyl-N-[phenyl(1,3-thiazol-2-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133299697
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]naphthalen-2-amine
CID 79242430
3-ethyl-N-[(1S)-1-phenylethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 39335688
N-(3-methylsulfanylpropyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133304991
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71996278
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 79241805

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133312004) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1noc(C)c1C(C)Nc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is SYOQEIVVCZNOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-11(17-12(2)23-25-13(17)3)19-15-9-10-16-20-21-18(24(16)22-15)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,19,22).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 334.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133312004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).