cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol

C13H19N5O — CID 128565432

IUPACcis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc2ccc(NC[C@H]3CCCC[C@@H]3O)nn2n1
InChIInChI=1S/C13H19N5O/c1-9-15-13-7-6-12(17-18(13)16-9)14-8-10-4-2-3-5-11(10)19/h6-7,10-11,19H,2-5,8H2,1H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyMBWWEPCNXNQURU-MNOVXSKESA-N
MW261.33 g/mol
LogP1.40
Rot. Bonds3

About cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol

cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 128565432) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol
PubChem CID128565432
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Namecis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc2ccc(NC[C@H]3CCCC[C@@H]3O)nn2n1
InChIInChI=1S/C13H19N5O/c1-9-15-13-7-6-12(17-18(13)16-9)14-8-10-4-2-3-5-11(10)19/h6-7,10-11,19H,2-5,8H2,1H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyMBWWEPCNXNQURU-MNOVXSKESA-N
XLogP1.40
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

3-[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]propanoic acid
CID 120963927
2-[[(6-aminoquinolin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64929609
2-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 66326314
7-[(2-hydroxycyclohexyl)methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283172
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911292
trans-(1S,2S)-2-[[(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 154869671
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
N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-N'-pyridin-2-ylpropane-1,3-diamine
CID 100670955
2-[[(5-methoxy-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 106504158
6-[[(1R,2S)-2-hydroxycyclohexyl]methylamino]pyridine-2-carboxylic acid
CID 122057995
2-cyclopropyl-4-[(2-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976032
2-[[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80950997

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol (CID 128565432) is cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol is Cc1nc2ccc(NC[C@H]3CCCC[C@@H]3O)nn2n1.
What is the InChIKey of cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MBWWEPCNXNQURU-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19N5O/c1-9-15-13-7-6-12(17-18(13)16-9)14-8-10-4-2-3-5-11(10)19/h6-7,10-11,19H,2-5,8H2,1H3,(H,14,17)/t10-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol?
cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 261.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 128565432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).