(3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide

C11H17N5O2 — CID 126439980

IUPAC(3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)NCc2ncn[nH]2)C1(C)C
InChIInChI=1S/C11H17N5O2/c1-11(2)7(4-9(17)16(11)3)10(18)12-5-8-13-6-14-15-8/h6-7H,4-5H2,1-3H3,(H,12,18)(H,13,14,15)/t7-/m0/s1
InChIKeyZJYVVPNLXPONDJ-ZETCQYMHSA-N
MW251.29 g/mol
LogP-0.32
Rot. Bonds3

About (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide

(3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 126439980) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID126439980
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN1C(=O)C[C@@H](C(=O)NCc2ncn[nH]2)C1(C)C
InChIInChI=1S/C11H17N5O2/c1-11(2)7(4-9(17)16(11)3)10(18)12-5-8-13-6-14-15-8/h6-7H,4-5H2,1-3H3,(H,12,18)(H,13,14,15)/t7-/m0/s1
InChIKeyZJYVVPNLXPONDJ-ZETCQYMHSA-N
XLogP-0.32
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-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 (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 126439980) is (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide is CN1C(=O)C[C@@H](C(=O)NCc2ncn[nH]2)C1(C)C.
What is the InChIKey of (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZJYVVPNLXPONDJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-11(2)7(4-9(17)16(11)3)10(18)12-5-8-13-6-14-15-8/h6-7H,4-5H2,1-3H3,(H,12,18)(H,13,14,15)/t7-/m0/s1.
What are the key properties of (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide?
(3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,2,2-trimethyl-5-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126439980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).