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

C15H20F3N5O — CID 139011079

IUPACN,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(N(C)CC2CCCOC2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C15H20F3N5O/c1-9-10(2)13(22(3)7-11-5-4-6-24-8-11)21-23-12(9)19-20-14(23)15(16,17)18/h11H,4-8H2,1-3H3
InChIKeyBYJJINFGSSKIOA-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.62
Rot. Bonds3

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

N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 139011079) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID139011079
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC NameN,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1c(N(C)CC2CCCOC2)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C15H20F3N5O/c1-9-10(2)13(22(3)7-11-5-4-6-24-8-11)21-23-12(9)19-20-14(23)15(16,17)18/h11H,4-8H2,1-3H3
InChIKeyBYJJINFGSSKIOA-UHFFFAOYSA-N
XLogP2.62
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

2-cyclopropyl-4-N,5-dimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80984160
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)pyrazin-2-amine
CID 63727442
3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114072561
2-[[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 133424487
6-N-ethyl-4-N,2,5-trimethyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80846682
2-N,6-dimethyl-2-N-(oxan-3-ylmethyl)pyridine-2,3-diamine
CID 81131398
5-bromo-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 66318184
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboxylic acid
CID 63711700
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
5-bromo-3-fluoro-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413890
5-bromo-3-fluoro-N-methyl-N-[[(3S)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413889
N-methyl-5-(methylaminomethyl)-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 114216347

Frequently Asked Questions

What is the IUPAC name of N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 139011079) is N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1c(N(C)CC2CCCOC2)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is BYJJINFGSSKIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-9-10(2)13(22(3)7-11-5-4-6-24-8-11)21-23-12(9)19-20-14(23)15(16,17)18/h11H,4-8H2,1-3H3.
What are the key properties of N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N,7,8-trimethyl-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 343.35 g/mol, XLogP of 2.62, 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-(oxan-3-ylmethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 139011079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).