[(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone

C9H15N5O — CID 135150513

IUPAC[(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)c1cn[nH]n1
InChIInChI=1S/C9H15N5O/c1-6-3-10-4-7(2)14(6)9(15)8-5-11-13-12-8/h5-7,10H,3-4H2,1-2H3,(H,11,12,13)/t6-,7+
InChIKeyWNVVOQKNGGQPBD-KNVOCYPGSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds1

About [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone

[(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone (PubChem CID 135150513) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
PubChem CID135150513
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name[(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)c1cn[nH]n1
InChIInChI=1S/C9H15N5O/c1-6-3-10-4-7(2)14(6)9(15)8-5-11-13-12-8/h5-7,10H,3-4H2,1-2H3,(H,11,12,13)/t6-,7+
InChIKeyWNVVOQKNGGQPBD-KNVOCYPGSA-N
XLogP-0.37
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone (CID 135150513) is [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone is C[C@@H]1CNC[C@H](C)N1C(=O)c1cn[nH]n1.
What is the InChIKey of [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone?
The InChIKey is WNVVOQKNGGQPBD-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H15N5O/c1-6-3-10-4-7(2)14(6)9(15)8-5-11-13-12-8/h5-7,10H,3-4H2,1-2H3,(H,11,12,13)/t6-,7+.
What are the key properties of [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone?
[(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylpiperazin-1-yl]-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 135150513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).