2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one

C19H31N7O — CID 56719550

IUPAC2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(c3nc(C)cnc3C)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C19H31N7O/c1-6-25-18(22-26(19(25)27)11-10-23(4)5)16-8-7-9-24(13-16)17-15(3)20-12-14(2)21-17/h12,16H,6-11,13H2,1-5H3
InChIKeyRTCZBFJAETXZCF-UHFFFAOYSA-N
MW373.51 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one

2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one (PubChem CID 56719550) has the molecular formula C19H31N7O and a molecular weight of 373.51 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one
PubChem CID56719550
Molecular FormulaC19H31N7O
Molecular Weight373.51 g/mol
Exact Mass373.26
IUPAC Name2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one
SMILESCCn1c(C2CCCN(c3nc(C)cnc3C)C2)nn(CCN(C)C)c1=O
InChIInChI=1S/C19H31N7O/c1-6-25-18(22-26(19(25)27)11-10-23(4)5)16-8-7-9-24(13-16)17-15(3)20-12-14(2)21-17/h12,16H,6-11,13H2,1-5H3
InChIKeyRTCZBFJAETXZCF-UHFFFAOYSA-N
XLogP1.42
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one (CID 56719550) is 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one is CCn1c(C2CCCN(c3nc(C)cnc3C)C2)nn(CCN(C)C)c1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one?
The InChIKey is RTCZBFJAETXZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O/c1-6-25-18(22-26(19(25)27)11-10-23(4)5)16-8-7-9-24(13-16)17-15(3)20-12-14(2)21-17/h12,16H,6-11,13H2,1-5H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one?
2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one has a molecular weight of 373.51 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]-4-ethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 56719550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).