[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone

C15H16N6OS — CID 91818622

IUPAC[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1nnc2c(N3CCN(C(=O)c4ccsc4)CC3)nccn12
InChIInChI=1S/C15H16N6OS/c1-11-17-18-14-13(16-3-4-21(11)14)19-5-7-20(8-6-19)15(22)12-2-9-23-10-12/h2-4,9-10H,5-8H2,1H3
InChIKeyWLMHNIPTXBNFHW-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.46
Rot. Bonds2

About [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 91818622) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID91818622
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESCc1nnc2c(N3CCN(C(=O)c4ccsc4)CC3)nccn12
InChIInChI=1S/C15H16N6OS/c1-11-17-18-14-13(16-3-4-21(11)14)19-5-7-20(8-6-19)15(22)12-2-9-23-10-12/h2-4,9-10H,5-8H2,1H3
InChIKeyWLMHNIPTXBNFHW-UHFFFAOYSA-N
XLogP1.46
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(1-Methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 36252958
[4-(1,6-Dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 53531890
[8-methyl-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-thiophen-3-ylmethanone
CID 118739362
(4-(1-methyl-1H-imidazol-2-yl)piperazin-1-yl)(thiophen-3-yl)methanone
CID 60340891
(4-(3-Methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl)(5-methylthiophen-2-yl)methanone
CID 91818629
N-(1-{[1,2,4]triazolo[4,3-a]pyrazin-8-yl}pyrrolidin-3-yl)thiophene-3-carboxamide
CID 119104887
5-[4-(Thiophen-3-ylmethyl)piperazin-1-yl]tetrazolo[1,5-a]pyrazine
CID 53500697
3-methyl-N-(thiophen-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 64367031
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-(3-thienylcarbonyl)piperidine
CID 72899476
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-(5-iodothiophen-3-yl)methanone
CID 78962821
[4-(2-Imidazol-1-ylethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 90533345
[4-[2-(2-Methylimidazol-1-yl)ethyl]piperazin-1-yl]-thiophen-3-ylmethanone
CID 90533826

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 91818622) is [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone is Cc1nnc2c(N3CCN(C(=O)c4ccsc4)CC3)nccn12.
What is the InChIKey of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is WLMHNIPTXBNFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-11-17-18-14-13(16-3-4-21(11)14)19-5-7-20(8-6-19)15(22)12-2-9-23-10-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 328.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 91818622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).