2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide

C15H21N5O2 — CID 98065965

IUPAC2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2ccnc3ncnn23)CC1
InChIInChI=1S/C15H21N5O2/c1-22-9-14(21)17-8-11-2-4-12(5-3-11)13-6-7-16-15-18-10-19-20(13)15/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,21)
InChIKeyMCNBCHZXWBAAFP-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.16
Rot. Bonds5

About 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide

2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide (PubChem CID 98065965) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
PubChem CID98065965
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
SMILESCOCC(=O)NCC1CCC(c2ccnc3ncnn23)CC1
InChIInChI=1S/C15H21N5O2/c1-22-9-14(21)17-8-11-2-4-12(5-3-11)13-6-7-16-15-18-10-19-20(13)15/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,21)
InChIKeyMCNBCHZXWBAAFP-UHFFFAOYSA-N
XLogP1.16
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide (CID 98065965) is 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide is COCC(=O)NCC1CCC(c2ccnc3ncnn23)CC1.
What is the InChIKey of 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
The InChIKey is MCNBCHZXWBAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-22-9-14(21)17-8-11-2-4-12(5-3-11)13-6-7-16-15-18-10-19-20(13)15/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,21).
What are the key properties of 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98065965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).