N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

C16H23N5O2 — CID 136515714

IUPACN-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCC1(CC)C(NC(=O)Cc2nc3ncccn3n2)CC1OC
InChIInChI=1S/C16H23N5O2/c1-4-16(5-2)11(9-12(16)23-3)18-14(22)10-13-19-15-17-7-6-8-21(15)20-13/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,22)
InChIKeyIFICBZKTDLCQFQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.38
Rot. Bonds6

About N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide

N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (PubChem CID 136515714) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
PubChem CID136515714
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
SMILESCCC1(CC)C(NC(=O)Cc2nc3ncccn3n2)CC1OC
InChIInChI=1S/C16H23N5O2/c1-4-16(5-2)11(9-12(16)23-3)18-14(22)10-13-19-15-17-7-6-8-21(15)20-13/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,22)
InChIKeyIFICBZKTDLCQFQ-UHFFFAOYSA-N
XLogP1.38
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The IUPAC name of N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide (CID 136515714) is N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is CCC1(CC)C(NC(=O)Cc2nc3ncccn3n2)CC1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
The InChIKey is IFICBZKTDLCQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-4-16(5-2)11(9-12(16)23-3)18-14(22)10-13-19-15-17-7-6-8-21(15)20-13/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,18,22).
What are the key properties of N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide?
N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxycyclobutyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide is sourced from PubChem (CID 136515714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).