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

C16H18N6OS — CID 91818642

IUPAC(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCN(c2nccn3c(C)nnc23)CC1
InChIInChI=1S/C16H18N6OS/c1-11-3-10-24-13(11)16(23)21-8-6-20(7-9-21)14-15-19-18-12(2)22(15)5-4-17-14/h3-5,10H,6-9H2,1-2H3
InChIKeyPDKNDCFYMXXVGZ-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.77
Rot. Bonds2

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

(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone (PubChem CID 91818642) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
PubChem CID91818642
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCN(c2nccn3c(C)nnc23)CC1
InChIInChI=1S/C16H18N6OS/c1-11-3-10-24-13(11)16(23)21-8-6-20(7-9-21)14-15-19-18-12(2)22(15)5-4-17-14/h3-5,10H,6-9H2,1-2H3
InChIKeyPDKNDCFYMXXVGZ-UHFFFAOYSA-N
XLogP1.77
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818629
[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 91818651
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818598
2-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56806210
[(3S)-1,1-dioxothiolan-3-yl]-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 129417782
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-(3-methylthiophen-2-yl)methanone
CID 97468896
(Z)-1-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 91818614
3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605614
[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165435128
4-benzyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 87050141
[4-(2-methyl-5-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]-(3-methylthiophen-2-yl)methanone
CID 138383444
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone (CID 91818642) is (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone is Cc1ccsc1C(=O)N1CCN(c2nccn3c(C)nnc23)CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
The InChIKey is PDKNDCFYMXXVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-3-10-24-13(11)16(23)21-8-6-20(7-9-21)14-15-19-18-12(2)22(15)5-4-17-14/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone?
(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone has a molecular weight of 342.43 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91818642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).