(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C14H19N5O2 — CID 43430229

IUPAC(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCCC2CO)cnc2ncnn12
InChIInChI=1S/C14H19N5O2/c1-2-12-11(7-15-14-16-9-17-19(12)14)13(21)18-6-4-3-5-10(18)8-20/h7,9-10,20H,2-6,8H2,1H3
InChIKeySALGGDIJGSNNLR-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.67
Rot. Bonds3

About (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 43430229) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID43430229
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCCC2CO)cnc2ncnn12
InChIInChI=1S/C14H19N5O2/c1-2-12-11(7-15-14-16-9-17-19(12)14)13(21)18-6-4-3-5-10(18)8-20/h7,9-10,20H,2-6,8H2,1H3
InChIKeySALGGDIJGSNNLR-UHFFFAOYSA-N
XLogP0.67
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43430927
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370595
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43428072
(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 66264397
(4-chloro-6-methyl-3-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634475
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
[4-(ethylamino)-6-methyl-3-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637942
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
1-methyl-3-[[1-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]methyl]urea
CID 166388059
(2-ethoxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421165
7-ethyl-N-(1H-imidazol-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 63565575
(4-chloro-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 81225917

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 43430229) is (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is CCc1c(C(=O)N2CCCCC2CO)cnc2ncnn12.
What is the InChIKey of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is SALGGDIJGSNNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-2-12-11(7-15-14-16-9-17-19(12)14)13(21)18-6-4-3-5-10(18)8-20/h7,9-10,20H,2-6,8H2,1H3.
What are the key properties of (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 289.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 43430229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).