N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

C16H17F3N6 — CID 126917112

IUPACN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCC2CN(c3ccc(C4CC4)nn3)C2)nn1
InChIInChI=1S/C16H17F3N6/c17-16(18,19)13-4-5-14(23-22-13)20-7-10-8-25(9-10)15-6-3-12(21-24-15)11-1-2-11/h3-6,10-11H,1-2,7-9H2,(H,20,23)
InChIKeyVRARFHJSDPMQDW-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.71
Rot. Bonds5

About N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 126917112) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID126917112
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC NameN-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCC2CN(c3ccc(C4CC4)nn3)C2)nn1
InChIInChI=1S/C16H17F3N6/c17-16(18,19)13-4-5-14(23-22-13)20-7-10-8-25(9-10)15-6-3-12(21-24-15)11-1-2-11/h3-6,10-11H,1-2,7-9H2,(H,20,23)
InChIKeyVRARFHJSDPMQDW-UHFFFAOYSA-N
XLogP2.71
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 126917048
6-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 126917193
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 126917165
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]pyrazin-2-amine
CID 126917801
6-tert-butyl-N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126922492
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126917817
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
CID 126917924
1-cyclopropyl-3-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126917195
1-[[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methylamino]methyl]cyclohexan-1-ol
CID 126917215
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine
CID 126917143
6-methyl-N-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methyl]pyridazin-3-amine
CID 126920030
6-N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126917843

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 126917112) is N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCC2CN(c3ccc(C4CC4)nn3)C2)nn1.
What is the InChIKey of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is VRARFHJSDPMQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6/c17-16(18,19)13-4-5-14(23-22-13)20-7-10-8-25(9-10)15-6-3-12(21-24-15)11-1-2-11/h3-6,10-11H,1-2,7-9H2,(H,20,23).
What are the key properties of N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 350.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 126917112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).