trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine

C14H22N6 — CID 124880293

IUPACtrans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine
SMILESCc1nc2ccc(N[C@H]3CCC[C@H](N(C)C)C3)nn2n1
InChIInChI=1S/C14H22N6/c1-10-15-14-8-7-13(18-20(14)17-10)16-11-5-4-6-12(9-11)19(2)3/h7-8,11-12H,4-6,9H2,1-3H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyCPSQSWZENXNGCP-RYUDHWBXSA-N
MW274.37 g/mol
LogP1.72
Rot. Bonds3

About trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine

trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine (PubChem CID 124880293) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine
PubChem CID124880293
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Nametrans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine
SMILESCc1nc2ccc(N[C@H]3CCC[C@H](N(C)C)C3)nn2n1
InChIInChI=1S/C14H22N6/c1-10-15-14-8-7-13(18-20(14)17-10)16-11-5-4-6-12(9-11)19(2)3/h7-8,11-12H,4-6,9H2,1-3H3,(H,16,18)/t11-,12-/m0/s1
InChIKeyCPSQSWZENXNGCP-RYUDHWBXSA-N
XLogP1.72
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine (CID 124880293) is trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine is Cc1nc2ccc(N[C@H]3CCC[C@H](N(C)C)C3)nn2n1.
What is the InChIKey of trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine?
The InChIKey is CPSQSWZENXNGCP-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H22N6/c1-10-15-14-8-7-13(18-20(14)17-10)16-11-5-4-6-12(9-11)19(2)3/h7-8,11-12H,4-6,9H2,1-3H3,(H,16,18)/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine?
trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 124880293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).