4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one

C12H15N7OS — CID 80883372

IUPAC4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one
SMILESCCNc1cn2ccnc2c(Sc2n[nH]c(=O)n2CC)n1
InChIInChI=1S/C12H15N7OS/c1-3-13-8-7-18-6-5-14-9(18)10(15-8)21-12-17-16-11(20)19(12)4-2/h5-7,13H,3-4H2,1-2H3,(H,16,20)
InChIKeySPIKULPWTMZFCO-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.22
Rot. Bonds5

About 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one

4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one (PubChem CID 80883372) has the molecular formula C12H15N7OS and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one
PubChem CID80883372
Molecular FormulaC12H15N7OS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one
SMILESCCNc1cn2ccnc2c(Sc2n[nH]c(=O)n2CC)n1
InChIInChI=1S/C12H15N7OS/c1-3-13-8-7-18-6-5-14-9(18)10(15-8)21-12-17-16-11(20)19(12)4-2/h5-7,13H,3-4H2,1-2H3,(H,16,20)
InChIKeySPIKULPWTMZFCO-UHFFFAOYSA-N
XLogP1.22
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one (CID 80883372) is 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one is CCNc1cn2ccnc2c(Sc2n[nH]c(=O)n2CC)n1.
What is the InChIKey of 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one?
The InChIKey is SPIKULPWTMZFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7OS/c1-3-13-8-7-18-6-5-14-9(18)10(15-8)21-12-17-16-11(20)19(12)4-2/h5-7,13H,3-4H2,1-2H3,(H,16,20).
What are the key properties of 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one?
4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one has a molecular weight of 305.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]sulfanyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 80883372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).