(2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone

C9H15N5O — CID 63909615

IUPAC(2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCC1CNCC(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)
InChIKeyWNVVOQKNGGQPBD-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.37
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone

(2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone (PubChem CID 63909615) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
PubChem CID63909615
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone
SMILESCC1CNCC(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)
InChIKeyWNVVOQKNGGQPBD-UHFFFAOYSA-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 (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone (CID 63909615) is (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone is CC1CNCC(C)N1C(=O)c1cn[nH]n1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
The InChIKey is WNVVOQKNGGQPBD-UHFFFAOYSA-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).
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone?
(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 (2,6-dimethylpiperazin-1-yl)-(2H-triazol-4-yl)methanone is sourced from PubChem (CID 63909615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).