[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

C20H30N8O — CID 25380262

IUPAC[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2)n1
InChIInChI=1S/C20H30N8O/c1-16-14-21-17(2)19(22-16)26-9-11-27(12-10-26)20(29)18-15-28(24-23-18)13-8-25-6-4-3-5-7-25/h14-15H,3-13H2,1-2H3
InChIKeyRGWNHLFDPIRFTR-UHFFFAOYSA-N
MW398.52 g/mol
LogP1.13
Rot. Bonds5

About [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (PubChem CID 25380262) has the molecular formula C20H30N8O and a molecular weight of 398.52 g/mol. Its IUPAC name is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
PubChem CID25380262
Molecular FormulaC20H30N8O
Molecular Weight398.52 g/mol
Exact Mass398.25
IUPAC Name[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2)n1
InChIInChI=1S/C20H30N8O/c1-16-14-21-17(2)19(22-16)26-9-11-27(12-10-26)20(29)18-15-28(24-23-18)13-8-25-6-4-3-5-7-25/h14-15H,3-13H2,1-2H3
InChIKeyRGWNHLFDPIRFTR-UHFFFAOYSA-N
XLogP1.13
TPSA83.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The IUPAC name of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (CID 25380262) is [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.
What is the SMILES notation for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The canonical SMILES for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is Cc1cnc(C)c(N2CCN(C(=O)c3cn(CCN4CCCCC4)nn3)CC2)n1.
What is the InChIKey of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The InChIKey is RGWNHLFDPIRFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N8O/c1-16-14-21-17(2)19(22-16)26-9-11-27(12-10-26)20(29)18-15-28(24-23-18)13-8-25-6-4-3-5-7-25/h14-15H,3-13H2,1-2H3.
What are the key properties of [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone has a molecular weight of 398.52 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 25380262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).