N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C15H23N5O — CID 94649440

IUPACN-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCCCC[C@@H](C)NC(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C15H23N5O/c1-3-4-5-6-8-12(2)17-14(21)11-13-18-15-16-9-7-10-20(15)19-13/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyYPTNOEBOQUODGE-GFCCVEGCSA-N
MW289.38 g/mol
LogP2.14
Rot. Bonds8

About N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 94649440) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID94649440
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCCCC[C@@H](C)NC(=O)Cc1nc2ncccn2n1
InChIInChI=1S/C15H23N5O/c1-3-4-5-6-8-12(2)17-14(21)11-13-18-15-16-9-7-10-20(15)19-13/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,17,21)/t12-/m1/s1
InChIKeyYPTNOEBOQUODGE-GFCCVEGCSA-N
XLogP2.14
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 94649440) is N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCCCCC[C@@H](C)NC(=O)Cc1nc2ncccn2n1.
What is the InChIKey of N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is YPTNOEBOQUODGE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-4-5-6-8-12(2)17-14(21)11-13-18-15-16-9-7-10-20(15)19-13/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-octan-2-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 94649440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).