(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

C15H21N5O2 — CID 99104146

IUPAC(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESC[C@@H]1CCC[C@H](O[C@H](C)C(=O)Nc2nc3ncccn3n2)C1
InChIInChI=1S/C15H21N5O2/c1-10-5-3-6-12(9-10)22-11(2)13(21)17-14-18-15-16-7-4-8-20(15)19-14/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,17,19,21)/t10-,11-,12+/m1/s1
InChIKeyMJHBWQRLDHUUDJ-UTUOFQBUSA-N
MW303.37 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide

(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (PubChem CID 99104146) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
PubChem CID99104146
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
SMILESC[C@@H]1CCC[C@H](O[C@H](C)C(=O)Nc2nc3ncccn3n2)C1
InChIInChI=1S/C15H21N5O2/c1-10-5-3-6-12(9-10)22-11(2)13(21)17-14-18-15-16-7-4-8-20(15)19-14/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,17,19,21)/t10-,11-,12+/m1/s1
InChIKeyMJHBWQRLDHUUDJ-UTUOFQBUSA-N
XLogP2.05
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 102557367
trans-(1S,2S)-2-(4-propan-2-ylphenyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carboxamide
CID 95774502
N-[3-[ethyl(methyl)amino]phenyl]-2-(3-methylcyclohexyl)oxypropanamide
CID 86960782
(2S)-N-cycloheptyl-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808546
(2S)-N-[2-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[(1R,3R)-3-methylcyclohexyl]oxypropanamide
CID 99808571
(2R)-N-cycloheptyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 41354115
2-[[(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124690180
2-[[(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxypropanoyl]amino]acetic acid
CID 124689895
(2S)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2S)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 97238760
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[(2R)-3-oxo-4-phenylbutan-2-yl]propanamide
CID 98852285
(2R)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]propanamide
CID 99104158
(2S)-1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351870

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The IUPAC name of (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide (CID 99104146) is (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The canonical SMILES for (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is C[C@@H]1CCC[C@H](O[C@H](C)C(=O)Nc2nc3ncccn3n2)C1.
What is the InChIKey of (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
The InChIKey is MJHBWQRLDHUUDJ-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-5-3-6-12(9-10)22-11(2)13(21)17-14-18-15-16-7-4-8-20(15)19-14/h4,7-8,10-12H,3,5-6,9H2,1-2H3,(H,17,19,21)/t10-,11-,12+/m1/s1.
What are the key properties of (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide?
(2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide has a molecular weight of 303.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,3R)-3-methylcyclohexyl]oxy-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 99104146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).