N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H20F3N7 — CID 133398208

IUPACN,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(N(C)CCCn2ccnc2C)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H20F3N7/c1-10-11(2)14(23-26-13(10)21-22-15(26)16(17,18)19)24(4)7-5-8-25-9-6-20-12(25)3/h6,9H,5,7-8H2,1-4H3
InChIKeyZFDUMUHHIYQNNK-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.79
Rot. Bonds5

About N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133398208) has the molecular formula C16H20F3N7 and a molecular weight of 367.38 g/mol. Its IUPAC name is N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133398208
Molecular FormulaC16H20F3N7
Molecular Weight367.38 g/mol
Exact Mass367.17
IUPAC NameN,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(N(C)CCCn2ccnc2C)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C16H20F3N7/c1-10-11(2)14(23-26-13(10)21-22-15(26)16(17,18)19)24(4)7-5-8-25-9-6-20-12(25)3/h6,9H,5,7-8H2,1-4H3
InChIKeyZFDUMUHHIYQNNK-UHFFFAOYSA-N
XLogP2.79
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133398208) is N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1c(N(C)CCCn2ccnc2C)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZFDUMUHHIYQNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N7/c1-10-11(2)14(23-26-13(10)21-22-15(26)16(17,18)19)24(4)7-5-8-25-9-6-20-12(25)3/h6,9H,5,7-8H2,1-4H3.
What are the key properties of N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 367.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,8-trimethyl-N-[3-(2-methylimidazol-1-yl)propyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133398208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).