[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

C15H20N6O — CID 87052132

IUPAC[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCCn1cnnc1C1CCCCN1C(=O)c1cnccn1
InChIInChI=1S/C15H20N6O/c1-2-8-20-11-18-19-14(20)13-5-3-4-9-21(13)15(22)12-10-16-6-7-17-12/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyIDSBQRCUFSZLFY-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.85
Rot. Bonds4

About [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 87052132) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID87052132
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCCn1cnnc1C1CCCCN1C(=O)c1cnccn1
InChIInChI=1S/C15H20N6O/c1-2-8-20-11-18-19-14(20)13-5-3-4-9-21(13)15(22)12-10-16-6-7-17-12/h6-7,10-11,13H,2-5,8-9H2,1H3
InChIKeyIDSBQRCUFSZLFY-UHFFFAOYSA-N
XLogP1.85
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone (CID 87052132) is [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is CCCn1cnnc1C1CCCCN1C(=O)c1cnccn1.
What is the InChIKey of [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is IDSBQRCUFSZLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-2-8-20-11-18-19-14(20)13-5-3-4-9-21(13)15(22)12-10-16-6-7-17-12/h6-7,10-11,13H,2-5,8-9H2,1H3.
What are the key properties of [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone?
[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 300.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 87052132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).