N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H19N5O2 — CID 118769601

IUPACN-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1nc2ncccn2n1
InChIInChI=1S/C15H19N5O2/c21-13(12-18-14-16-7-4-8-20(14)19-12)17-11-9-15(22-10-11)5-2-1-3-6-15/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,21)
InChIKeyDJOFFBXMKKMMCQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.35
Rot. Bonds2

About N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 118769601) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID118769601
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1COC2(CCCCC2)C1)c1nc2ncccn2n1
InChIInChI=1S/C15H19N5O2/c21-13(12-18-14-16-7-4-8-20(14)19-12)17-11-9-15(22-10-11)5-2-1-3-6-15/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,21)
InChIKeyDJOFFBXMKKMMCQ-UHFFFAOYSA-N
XLogP1.35
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 24870601
N-(3-ethoxyspiro[3.4]octan-1-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71926211
N-[(3S*,4R*)-4-propyl-1-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)pyrrolidin-3-yl]acetamide
CID 72866954
N-[(3R*,4R*)-4-pyrrolidin-1-yltetrahydrofuran-3-yl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77080832
N-[1-(tetrahydrofuran-2-ylmethyl)piperidin-4-yl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77090465
N-(tetrahydro-2H-pyran-3-ylmethyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 77092923
1,5-anhydro-2-O-(cyclobutylmethyl)-3,4-dideoxy-3-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)amino]-D-threo-pentitol
CID 91762580
N-[rac-(1R,5S,6R,7R)-7-ethyl-2-oxabicyclo[3.2.0]hept-6-yl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 91766673
3-O-(2-amino-2-oxoethyl)-1,5-anhydro-2,4-dideoxy-4-[([1,2,4]triazolo[1,5-a]pyrimidin-2-ylcarbonyl)amino]-D-erythro-pentitol
CID 91779568
N-[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97100670
N-[(1S,3S)-3-ethoxyspiro[3.4]octan-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97100671
N-[(1R,3R)-3-ethoxyspiro[3.4]octan-1-yl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 97100672

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 118769601) is N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1COC2(CCCCC2)C1)c1nc2ncccn2n1.
What is the InChIKey of N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DJOFFBXMKKMMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-13(12-18-14-16-7-4-8-20(14)19-12)17-11-9-15(22-10-11)5-2-1-3-6-15/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,21).
What are the key properties of N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.5]decan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 118769601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).