methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate

C16H23N5O2 — CID 133444639

IUPACmethyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C16H23N5O2/c1-11-8-13(21-15(19-11)17-10-18-21)20-7-5-6-12(9-20)16(2,3)14(22)23-4/h8,10,12H,5-7,9H2,1-4H3
InChIKeyBCCWCDQVEVLHRL-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate

methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate (PubChem CID 133444639) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate
PubChem CID133444639
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Namemethyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2cc(C)nc3ncnn23)C1
InChIInChI=1S/C16H23N5O2/c1-11-8-13(21-15(19-11)17-10-18-21)20-7-5-6-12(9-20)16(2,3)14(22)23-4/h8,10,12H,5-7,9H2,1-4H3
InChIKeyBCCWCDQVEVLHRL-UHFFFAOYSA-N
XLogP1.85
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
(3S)-N-cyclopentyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687580
(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687450
5-methyl-7-[3-(trifluoromethyl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354019
N-cyclopropyl-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 166602280
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
CID 63854044
tert-butyl N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 133300889
(3R)-N-(4-fluorophenyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51686885
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
(2S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-2-carboxylic acid
CID 120964867
N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 43816828

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate?
The IUPAC name of methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate (CID 133444639) is methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate?
The canonical SMILES for methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate is COC(=O)C(C)(C)C1CCCN(c2cc(C)nc3ncnn23)C1.
What is the InChIKey of methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate?
The InChIKey is BCCWCDQVEVLHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-8-13(21-15(19-11)17-10-18-21)20-7-5-6-12(9-20)16(2,3)14(22)23-4/h8,10,12H,5-7,9H2,1-4H3.
What are the key properties of methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate?
methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate has a molecular weight of 317.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate is sourced from PubChem (CID 133444639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).