6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C17H19N5 — CID 126436936

IUPAC6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC[C@H](c1cccc(-c2cnc3ncnn3c2)c1)N1CCCC1
InChIInChI=1S/C17H19N5/c1-13(21-7-2-3-8-21)14-5-4-6-15(9-14)16-10-18-17-19-12-20-22(17)11-16/h4-6,9-13H,2-3,7-8H2,1H3/t13-/m1/s1
InChIKeySUJQWURJWUJFGB-CYBMUJFWSA-N
MW293.37 g/mol
LogP2.95
Rot. Bonds3

About 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine

6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 126436936) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID126436936
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESC[C@H](c1cccc(-c2cnc3ncnn3c2)c1)N1CCCC1
InChIInChI=1S/C17H19N5/c1-13(21-7-2-3-8-21)14-5-4-6-15(9-14)16-10-18-17-19-12-20-22(17)11-16/h4-6,9-13H,2-3,7-8H2,1H3/t13-/m1/s1
InChIKeySUJQWURJWUJFGB-CYBMUJFWSA-N
XLogP2.95
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 126436936) is 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is C[C@H](c1cccc(-c2cnc3ncnn3c2)c1)N1CCCC1.
What is the InChIKey of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SUJQWURJWUJFGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19N5/c1-13(21-7-2-3-8-21)14-5-4-6-15(9-14)16-10-18-17-19-12-20-22(17)11-16/h4-6,9-13H,2-3,7-8H2,1H3/t13-/m1/s1.
What are the key properties of 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 293.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 126436936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).