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

C14H15N5O2 — CID 94671546

IUPACN-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)Cc2nc3ncccn3n2)o1
InChIInChI=1S/C14H15N5O2/c1-9-4-5-11(21-9)10(2)16-13(20)8-12-17-14-15-6-3-7-19(14)18-12/h3-7,10H,8H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyYUVMHAAMMJCVKP-SNVBAGLBSA-N
MW285.31 g/mol
LogP1.45
Rot. Bonds4

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

N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 94671546) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID94671546
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)Cc2nc3ncccn3n2)o1
InChIInChI=1S/C14H15N5O2/c1-9-4-5-11(21-9)10(2)16-13(20)8-12-17-14-15-6-3-7-19(14)18-12/h3-7,10H,8H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyYUVMHAAMMJCVKP-SNVBAGLBSA-N
XLogP1.45
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 94671546) is N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is Cc1ccc([C@@H](C)NC(=O)Cc2nc3ncccn3n2)o1.
What is the InChIKey of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is YUVMHAAMMJCVKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-4-5-11(21-9)10(2)16-13(20)8-12-17-14-15-6-3-7-19(14)18-12/h3-7,10H,8H2,1-2H3,(H,16,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 285.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-methylfuran-2-yl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 94671546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).