(3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C18H22N6OS — CID 53202706

IUPAC(3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCN(c2cc(C(C)C)n3cnnc3n2)CC1
InChIInChI=1S/C18H22N6OS/c1-12(2)14-10-15(20-18-21-19-11-24(14)18)22-5-7-23(8-6-22)17(25)16-13(3)4-9-26-16/h4,9-12H,5-8H2,1-3H3
InChIKeyMHHQBBIPFVXCMC-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.58
Rot. Bonds3

About (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone

(3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 53202706) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID53202706
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name(3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCN(c2cc(C(C)C)n3cnnc3n2)CC1
InChIInChI=1S/C18H22N6OS/c1-12(2)14-10-15(20-18-21-19-11-24(14)18)22-5-7-23(8-6-22)17(25)16-13(3)4-9-26-16/h4,9-12H,5-8H2,1-3H3
InChIKeyMHHQBBIPFVXCMC-UHFFFAOYSA-N
XLogP2.58
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

2-(2-methylphenyl)-1-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 53202722
(2S)-2-phenoxy-1-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 95114511
2-(2-methoxyphenoxy)-1-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-one
CID 53202690
2-(3-methylphenoxy)-1-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 53202727
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 53202521
(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202519
(4-methylphenyl)-[4-(5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202857
[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 53202640
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
(3-methylthiophen-2-yl)-[4-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperazin-1-yl]methanone
CID 91818642
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 53202635

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 53202706) is (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone is Cc1ccsc1C(=O)N1CCN(c2cc(C(C)C)n3cnnc3n2)CC1.
What is the InChIKey of (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is MHHQBBIPFVXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-12(2)14-10-15(20-18-21-19-11-24(14)18)22-5-7-23(8-6-22)17(25)16-13(3)4-9-26-16/h4,9-12H,5-8H2,1-3H3.
What are the key properties of (3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
(3-methylthiophen-2-yl)-[4-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 2.58, 3 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-(5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53202706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).