(3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid

C15H19N5O4 — CID 125119453

IUPAC(3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C15H19N5O4/c1-9-11(10(2)20-15(18-9)16-8-17-20)3-4-13(21)19-5-6-24-7-12(19)14(22)23/h8,12H,3-7H2,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyTYNDFQMJFNYKIY-GFCCVEGCSA-N
MW333.35 g/mol
LogP-0.01
Rot. Bonds4

About (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid

(3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid (PubChem CID 125119453) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid
PubChem CID125119453
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name(3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid
SMILESCc1nc2ncnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C15H19N5O4/c1-9-11(10(2)20-15(18-9)16-8-17-20)3-4-13(21)19-5-6-24-7-12(19)14(22)23/h8,12H,3-7H2,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyTYNDFQMJFNYKIY-GFCCVEGCSA-N
XLogP-0.01
TPSA109.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[6-(hydroxymethyl)-1,4-oxazepan-4-yl]propan-1-one
CID 70758000
4-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]morpholine-3-carboxylic acid
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3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18153001
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 70742219
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one
CID 74242169
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46654351
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]propan-1-one
CID 124848973
1-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 163306567
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 91830846
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 17395261
N-cyclohexyl-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 20863538
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-propyl-1,4-diazepan-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid (CID 125119453) is (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid is Cc1nc2ncnn2c(C)c1CCC(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid?
The InChIKey is TYNDFQMJFNYKIY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-9-11(10(2)20-15(18-9)16-8-17-20)3-4-13(21)19-5-6-24-7-12(19)14(22)23/h8,12H,3-7H2,1-2H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid?
(3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid has a molecular weight of 333.35 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125119453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).