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

C12H12F3N7 — CID 51301181

IUPACN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cnn(C)c1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C12H12F3N7/c1-20(6-8-5-16-21(2)7-8)10-4-3-9-17-18-11(12(13,14)15)22(9)19-10/h3-5,7H,6H2,1-2H3
InChIKeyXFNXGSPEMQWKSU-UHFFFAOYSA-N
MW311.27 g/mol
LogP1.51
Rot. Bonds3

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

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 51301181) has the molecular formula C12H12F3N7 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID51301181
Molecular FormulaC12H12F3N7
Molecular Weight311.27 g/mol
Exact Mass311.11
IUPAC NameN-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(Cc1cnn(C)c1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C12H12F3N7/c1-20(6-8-5-16-21(2)7-8)10-4-3-9-17-18-11(12(13,14)15)22(9)19-10/h3-5,7H,6H2,1-2H3
InChIKeyXFNXGSPEMQWKSU-UHFFFAOYSA-N
XLogP1.51
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 51301181) is N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(Cc1cnn(C)c1)c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is XFNXGSPEMQWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N7/c1-20(6-8-5-16-21(2)7-8)10-4-3-9-17-18-11(12(13,14)15)22(9)19-10/h3-5,7H,6H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 311.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 51301181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).