1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid

C10H16N4O2 — CID 43524948

IUPAC1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCC2C(=O)O)n1C
InChIInChI=1S/C10H16N4O2/c1-7-11-12-9(13(7)2)6-14-5-3-4-8(14)10(15)16/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyQSMBGKYLKVEFON-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.17
Rot. Bonds3

About 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43524948) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID43524948
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nnc(CN2CCCC2C(=O)O)n1C
InChIInChI=1S/C10H16N4O2/c1-7-11-12-9(13(7)2)6-14-5-3-4-8(14)10(15)16/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyQSMBGKYLKVEFON-UHFFFAOYSA-N
XLogP0.17
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 43524948) is 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is Cc1nnc(CN2CCCC2C(=O)O)n1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QSMBGKYLKVEFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-11-12-9(13(7)2)6-14-5-3-4-8(14)10(15)16/h8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43524948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).