N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H23N5O2 — CID 133353715

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOC1CC(Nc2cc(COC)nc3ncnn23)C12CCC2
InChIInChI=1S/C16H23N5O2/c1-3-23-13-8-12(16(13)5-4-6-16)20-14-7-11(9-22-2)19-15-17-10-18-21(14)15/h7,10,12-13,20H,3-6,8-9H2,1-2H3
InChIKeyNJHHUXWGZBCQCN-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.03
Rot. Bonds6

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133353715) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133353715
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCOC1CC(Nc2cc(COC)nc3ncnn23)C12CCC2
InChIInChI=1S/C16H23N5O2/c1-3-23-13-8-12(16(13)5-4-6-16)20-14-7-11(9-22-2)19-15-17-10-18-21(14)15/h7,10,12-13,20H,3-6,8-9H2,1-2H3
InChIKeyNJHHUXWGZBCQCN-UHFFFAOYSA-N
XLogP2.03
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133353715) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCOC1CC(Nc2cc(COC)nc3ncnn23)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NJHHUXWGZBCQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-23-13-8-12(16(13)5-4-6-16)20-14-7-11(9-22-2)19-15-17-10-18-21(14)15/h7,10,12-13,20H,3-6,8-9H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 317.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133353715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).