(2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C12H15N5O2 — CID 72866823

IUPAC(2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2n[nH]nc12)N1CCC[C@@H]1CO
InChIInChI=1S/C12H15N5O2/c18-7-8-3-2-6-17(8)12(19)13-9-4-1-5-10-11(9)15-16-14-10/h1,4-5,8,18H,2-3,6-7H2,(H,13,19)(H,14,15,16)/t8-/m1/s1
InChIKeyDZUQXJSEGLVAEQ-MRVPVSSYSA-N
MW261.28 g/mol
LogP0.95
Rot. Bonds2

About (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 72866823) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID72866823
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name(2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2n[nH]nc12)N1CCC[C@@H]1CO
InChIInChI=1S/C12H15N5O2/c18-7-8-3-2-6-17(8)12(19)13-9-4-1-5-10-11(9)15-16-14-10/h1,4-5,8,18H,2-3,6-7H2,(H,13,19)(H,14,15,16)/t8-/m1/s1
InChIKeyDZUQXJSEGLVAEQ-MRVPVSSYSA-N
XLogP0.95
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 72866823) is (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(Nc1cccc2n[nH]nc12)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is DZUQXJSEGLVAEQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-7-8-3-2-6-17(8)12(19)13-9-4-1-5-10-11(9)15-16-14-10/h1,4-5,8,18H,2-3,6-7H2,(H,13,19)(H,14,15,16)/t8-/m1/s1.
What are the key properties of (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2H-benzotriazol-4-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72866823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).