N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H17F3N6 — CID 139007022

IUPACN,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc(CN(C)c2nn3c(C(F)(F)F)nnc3c(C)c2C)nc1
InChIInChI=1S/C16H17F3N6/c1-9-5-6-12(20-7-9)8-24(4)14-11(3)10(2)13-21-22-15(16(17,18)19)25(13)23-14/h5-7H,8H2,1-4H3
InChIKeyLPYHAYWFFNTSTC-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.10
Rot. Bonds3

About N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 139007022) has the molecular formula C16H17F3N6 and a molecular weight of 350.35 g/mol. Its IUPAC name is N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID139007022
Molecular FormulaC16H17F3N6
Molecular Weight350.35 g/mol
Exact Mass350.15
IUPAC NameN,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc(CN(C)c2nn3c(C(F)(F)F)nnc3c(C)c2C)nc1
InChIInChI=1S/C16H17F3N6/c1-9-5-6-12(20-7-9)8-24(4)14-11(3)10(2)13-21-22-15(16(17,18)19)25(13)23-14/h5-7H,8H2,1-4H3
InChIKeyLPYHAYWFFNTSTC-UHFFFAOYSA-N
XLogP3.10
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 139007022) is N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1ccc(CN(C)c2nn3c(C(F)(F)F)nnc3c(C)c2C)nc1.
What is the InChIKey of N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is LPYHAYWFFNTSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6/c1-9-5-6-12(20-7-9)8-24(4)14-11(3)10(2)13-21-22-15(16(17,18)19)25(13)23-14/h5-7H,8H2,1-4H3.
What are the key properties of N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 350.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,8-trimethyl-N-[(5-methyl-2-pyridinyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 139007022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).