[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol

C17H24N4O2 — CID 167554634

IUPAC[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol
SMILESCc1nc(-c2nnn(C)c2CO)ccc1O[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C17H24N4O2/c1-11-5-4-6-13(9-11)23-16-8-7-14(18-12(16)2)17-15(10-22)21(3)20-19-17/h7-8,11,13,22H,4-6,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyCVSKSXYJOUWXKU-AAEUAGOBSA-N
MW316.41 g/mol
LogP2.64
Rot. Bonds4

About [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol

[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol (PubChem CID 167554634) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol
PubChem CID167554634
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol
SMILESCc1nc(-c2nnn(C)c2CO)ccc1O[C@H]1CCC[C@H](C)C1
InChIInChI=1S/C17H24N4O2/c1-11-5-4-6-13(9-11)23-16-8-7-14(18-12(16)2)17-15(10-22)21(3)20-19-17/h7-8,11,13,22H,4-6,9-10H2,1-3H3/t11-,13-/m0/s1
InChIKeyCVSKSXYJOUWXKU-AAEUAGOBSA-N
XLogP2.64
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol with MolForge

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Related Compounds

trans-(1S,3S)-3-[[6-[5-(bromomethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 138684979
3-[[6-[5-(aminomethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 138684876
trans-(1S,3S)-3-[[6-[5-[2-(cyclopropylmethoxy)-2-oxoethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 158580379
propan-2-yl (2R,4R)-4-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]oxane-2-carboxylate
CID 163282756
trans-methyl (1S,3S)-3-[[6-[5-(2-aminoethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 138719628
trans-propan-2-yl (1R,3S)-1-fluoro-3-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 138719338
trans-(1S,3S)-3-[[6-(5-amino-1-methyltriazol-4-yl)-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 166666148
trans-(1S,3S)-3-[[6-[5-[(6-methoxypyrazin-2-yl)oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 158852800
trans-propan-2-yl (1S,3S)-3-[[2-methyl-6-[1-methyl-5-[(methylideneamino)methyl]triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 163541845
trans-(1S,3S)-3-[[6-[5-[[(6-methoxypyrimidin-4-yl)amino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 166679619
(3S)-3-[[6-[5-[[[butyl(methyl)sulfamoyl]-methylamino]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 146597354
trans-(1S,3S)-3-[[6-[5-[[hydroxy-[methyl(propyl)amino]methoxy]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 166762760

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol?
The IUPAC name of [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol (CID 167554634) is [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol?
The canonical SMILES for [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol is Cc1nc(-c2nnn(C)c2CO)ccc1O[C@H]1CCC[C@H](C)C1.
What is the InChIKey of [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol?
The InChIKey is CVSKSXYJOUWXKU-AAEUAGOBSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-5-4-6-13(9-11)23-16-8-7-14(18-12(16)2)17-15(10-22)21(3)20-19-17/h7-8,11,13,22H,4-6,9-10H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol?
[3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol has a molecular weight of 316.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-[6-methyl-5-[(1S,3S)-3-methylcyclohexyl]oxy-2-pyridinyl]triazol-4-yl]methanol is sourced from PubChem (CID 167554634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).