7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C20H19N5O — CID 46842838

IUPAC7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2c(OC[C@H]3CCCN3c3ccnc4ncnn34)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-17-15(5-1)6-3-9-18(17)26-13-16-7-4-12-24(16)19-10-11-21-20-22-14-23-25(19)20/h1-3,5-6,8-11,14,16H,4,7,12-13H2/t16-/m1/s1
InChIKeyBCTCNJXSYRAZDU-MRXNPFEDSA-N
MW345.41 g/mol
LogP3.33
Rot. Bonds4

About 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 46842838) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID46842838
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc2c(OC[C@H]3CCCN3c3ccnc4ncnn34)cccc2c1
InChIInChI=1S/C20H19N5O/c1-2-8-17-15(5-1)6-3-9-18(17)26-13-16-7-4-12-24(16)19-10-11-21-20-22-14-23-25(19)20/h1-3,5-6,8-11,14,16H,4,7,12-13H2/t16-/m1/s1
InChIKeyBCTCNJXSYRAZDU-MRXNPFEDSA-N
XLogP3.33
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 46842838) is 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc2c(OC[C@H]3CCCN3c3ccnc4ncnn34)cccc2c1.
What is the InChIKey of 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is BCTCNJXSYRAZDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-8-17-15(5-1)6-3-9-18(17)26-13-16-7-4-12-24(16)19-10-11-21-20-22-14-23-25(19)20/h1-3,5-6,8-11,14,16H,4,7,12-13H2/t16-/m1/s1.
What are the key properties of 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 345.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(naphthalen-1-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).