(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C19H25N5O — CID 95307308

IUPAC(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C
InChIInChI=1S/C19H25N5O/c1-14-18(21-24(20-14)15-8-4-3-5-9-15)19(25)23-13-7-11-17(23)16-10-6-12-22(16)2/h3-5,8-9,16-17H,6-7,10-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyBPHWYJUDYJJBCP-IAGOWNOFSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds3

About (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95307308) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95307308
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C
InChIInChI=1S/C19H25N5O/c1-14-18(21-24(20-14)15-8-4-3-5-9-15)19(25)23-13-7-11-17(23)16-10-6-12-22(16)2/h3-5,8-9,16-17H,6-7,10-13H2,1-2H3/t16-,17-/m1/s1
InChIKeyBPHWYJUDYJJBCP-IAGOWNOFSA-N
XLogP2.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95307308) is (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is Cc1nn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C.
What is the InChIKey of (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is BPHWYJUDYJJBCP-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-18(21-24(20-14)15-8-4-3-5-9-15)19(25)23-13-7-11-17(23)16-10-6-12-22(16)2/h3-5,8-9,16-17H,6-7,10-13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyltriazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95307308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).