4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine

C12H17N5 — CID 103293974

IUPAC4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nnc3cccnn23)CC1
InChIInChI=1S/C12H17N5/c1-9-4-6-12(13,7-5-9)11-16-15-10-3-2-8-14-17(10)11/h2-3,8-9H,4-7,13H2,1H3
InChIKeyHPYRLGOHTANIGH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.49
Rot. Bonds1

About 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine

4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine (PubChem CID 103293974) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine
PubChem CID103293974
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine
SMILESCC1CCC(N)(c2nnc3cccnn23)CC1
InChIInChI=1S/C12H17N5/c1-9-4-6-12(13,7-5-9)11-16-15-10-3-2-8-14-17(10)11/h2-3,8-9H,4-7,13H2,1H3
InChIKeyHPYRLGOHTANIGH-UHFFFAOYSA-N
XLogP1.49
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 62693680
ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropane-1-carboxylate
CID 103294349
[4-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]methanamine
CID 113310564
1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropan-1-amine
CID 65466484
ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexane-1-carboxylate
CID 103294350
ethyl 1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cycloheptane-1-carboxylate
CID 103294364
1-(2,5-dimethyl-1,2,4-triazol-3-yl)-4-methylcyclohexan-1-amine
CID 62697029
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30312238
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
N-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclopropanamine
CID 103294067
3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 89233361

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
The IUPAC name of 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine (CID 103293974) is 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
The canonical SMILES for 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine is CC1CCC(N)(c2nnc3cccnn23)CC1.
What is the InChIKey of 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
The InChIKey is HPYRLGOHTANIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-4-6-12(13,7-5-9)11-16-15-10-3-2-8-14-17(10)11/h2-3,8-9H,4-7,13H2,1H3.
What are the key properties of 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine?
4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 103293974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).