5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C17H25N5O2 — CID 97125856

IUPAC5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(CN3CCC[C@@](CO)(CC4CC4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C17H25N5O2/c1-12-18-16-19-14(7-15(24)22(16)20-12)9-21-6-2-5-17(10-21,11-23)8-13-3-4-13/h7,13,23H,2-6,8-11H2,1H3,(H,18,19,20)/t17-/m1/s1
InChIKeyFFBAKMAOAKCHGY-QGZVFWFLSA-N
MW331.42 g/mol
LogP1.10
Rot. Bonds5

About 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 97125856) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID97125856
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(CN3CCC[C@@](CO)(CC4CC4)C3)cc(=O)n2[nH]1
InChIInChI=1S/C17H25N5O2/c1-12-18-16-19-14(7-15(24)22(16)20-12)9-21-6-2-5-17(10-21,11-23)8-13-3-4-13/h7,13,23H,2-6,8-11H2,1H3,(H,18,19,20)/t17-/m1/s1
InChIKeyFFBAKMAOAKCHGY-QGZVFWFLSA-N
XLogP1.10
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 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

2-cyclopentyl-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70732483
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97134124
7-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131901167
5-[[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 95888860
5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62022341
[3-(cyclopropylmethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 70730752
methyl 2-(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
CID 666935
2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943
[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 72923462
[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
formic acid;2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 154907170

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 97125856) is 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(CN3CCC[C@@](CO)(CC4CC4)C3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FFBAKMAOAKCHGY-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-18-16-19-14(7-15(24)22(16)20-12)9-21-6-2-5-17(10-21,11-23)8-13-3-4-13/h7,13,23H,2-6,8-11H2,1H3,(H,18,19,20)/t17-/m1/s1.
What are the key properties of 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 331.42 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]methyl]-2-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 97125856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).