(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid

C11H19N5O2 — CID 99957532

IUPAC(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
SMILESCCn1ncnc1CN1CCN(C)[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N5O2/c1-3-16-10(12-8-13-16)7-15-5-4-14(2)9(6-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyONYMKRFEWZNWFN-SECBINFHSA-N
MW253.31 g/mol
LogP-0.50
Rot. Bonds4

About (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid

(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid (PubChem CID 99957532) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
PubChem CID99957532
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
SMILESCCn1ncnc1CN1CCN(C)[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N5O2/c1-3-16-10(12-8-13-16)7-15-5-4-14(2)9(6-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)/t9-/m1/s1
InChIKeyONYMKRFEWZNWFN-SECBINFHSA-N
XLogP-0.50
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 79659230
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
(3aS,6aR)-5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 77078962
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372100
methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
CID 113331028
1-[[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 99929588
3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485017
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
2-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684013
3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
(2S)-4-[(2-amino-3-pyridinyl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 124751138
[5-[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 99949289

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid (CID 99957532) is (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid is CCn1ncnc1CN1CCN(C)[C@@H](C(=O)O)C1.
What is the InChIKey of (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
The InChIKey is ONYMKRFEWZNWFN-SECBINFHSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-16-10(12-8-13-16)7-15-5-4-14(2)9(6-15)11(17)18/h8-9H,3-7H2,1-2H3,(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid?
(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid has a molecular weight of 253.31 g/mol, XLogP of -0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid is sourced from PubChem (CID 99957532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).