[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol

C16H23N5O2 — CID 128996710

IUPAC[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCOc1ccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cn1
InChIInChI=1S/C16H23N5O2/c1-23-16-7-6-12(9-18-16)8-17-14-4-2-3-5-15(14)21-10-13(11-22)19-20-21/h6-7,9-10,14-15,17,22H,2-5,8,11H2,1H3/t14-,15+/m0/s1
InChIKeyLPFNHXXPKJQULQ-LSDHHAIUSA-N
MW317.39 g/mol
LogP1.45
Rot. Bonds6

About [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol

[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol (PubChem CID 128996710) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol
PubChem CID128996710
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol
SMILESCOc1ccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cn1
InChIInChI=1S/C16H23N5O2/c1-23-16-7-6-12(9-18-16)8-17-14-4-2-3-5-15(14)21-10-13(11-22)19-20-21/h6-7,9-10,14-15,17,22H,2-5,8,11H2,1H3/t14-,15+/m0/s1
InChIKeyLPFNHXXPKJQULQ-LSDHHAIUSA-N
XLogP1.45
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046504
N-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363784
2-[4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]triazol-1-yl]ethanol
CID 66269596
N-cyclopentyloxy-1-(6-methoxy-3-pyridinyl)methanamine
CID 114936879
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylcycloheptan-1-amine
CID 65081064
[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol
CID 97307269
2-cyclopentyloxy-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936757
1-(1,1-dioxothiolan-3-yl)-N-[(6-methoxy-3-pyridinyl)methyl]methanamine
CID 114936682
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60940395
(3R,4R)-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 124742358
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080

Frequently Asked Questions

What is the IUPAC name of [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol (CID 128996710) is [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol is COc1ccc(CN[C@H]2CCCC[C@H]2n2cc(CO)nn2)cn1.
What is the InChIKey of [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol?
The InChIKey is LPFNHXXPKJQULQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-23-16-7-6-12(9-18-16)8-17-14-4-2-3-5-15(14)21-10-13(11-22)19-20-21/h6-7,9-10,14-15,17,22H,2-5,8,11H2,1H3/t14-,15+/m0/s1.
What are the key properties of [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol?
[1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol has a molecular weight of 317.39 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R,2S)-2-[(6-methoxy-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]methanol is sourced from PubChem (CID 128996710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).