(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide

C16H16N6O — CID 95649125

IUPAC(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)C1
InChIInChI=1S/C16H16N6O/c17-15(23)12-6-7-21(9-12)14-8-13(11-4-2-1-3-5-11)20-16-18-10-19-22(14)16/h1-5,8,10,12H,6-7,9H2,(H2,17,23)/t12-/m1/s1
InChIKeyNVWFHZFDIDYRCI-GFCCVEGCSA-N
MW308.34 g/mol
LogP1.10
Rot. Bonds3

About (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide

(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide (PubChem CID 95649125) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
PubChem CID95649125
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)C1
InChIInChI=1S/C16H16N6O/c17-15(23)12-6-7-21(9-12)14-8-13(11-4-2-1-3-5-11)20-16-18-10-19-22(14)16/h1-5,8,10,12H,6-7,9H2,(H2,17,23)/t12-/m1/s1
InChIKeyNVWFHZFDIDYRCI-GFCCVEGCSA-N
XLogP1.10
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide (CID 95649125) is (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(c2cc(-c3ccccc3)nc3ncnn23)C1.
What is the InChIKey of (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
The InChIKey is NVWFHZFDIDYRCI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N6O/c17-15(23)12-6-7-21(9-12)14-8-13(11-4-2-1-3-5-11)20-16-18-10-19-22(14)16/h1-5,8,10,12H,6-7,9H2,(H2,17,23)/t12-/m1/s1.
What are the key properties of (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide?
(3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95649125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).