N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C17H27N5O — CID 95322433

IUPACN-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@@H](C)CC
InChIInChI=1S/C17H27N5O/c1-6-8-9-21(13(4)7-2)16(23)11-15-19-17-18-12(3)10-14(5)22(17)20-15/h10,13H,6-9,11H2,1-5H3/t13-/m0/s1
InChIKeyZHTBQFANQUWMLX-ZDUSSCGKSA-N
MW317.44 g/mol
LogP2.71
Rot. Bonds7

About N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 95322433) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID95322433
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@@H](C)CC
InChIInChI=1S/C17H27N5O/c1-6-8-9-21(13(4)7-2)16(23)11-15-19-17-18-12(3)10-14(5)22(17)20-15/h10,13H,6-9,11H2,1-5H3/t13-/m0/s1
InChIKeyZHTBQFANQUWMLX-ZDUSSCGKSA-N
XLogP2.71
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 95322433) is N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCCCN(C(=O)Cc1nc2nc(C)cc(C)n2n1)[C@@H](C)CC.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is ZHTBQFANQUWMLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27N5O/c1-6-8-9-21(13(4)7-2)16(23)11-15-19-17-18-12(3)10-14(5)22(17)20-15/h10,13H,6-9,11H2,1-5H3/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 317.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-butyl-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 95322433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).