(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone

C15H20N6OS — CID 95291073

IUPAC(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
SMILESCc1nnc2n1CCN(C(=O)[C@@H]1CCCN(c3nccs3)C1)C2
InChIInChI=1S/C15H20N6OS/c1-11-17-18-13-10-19(6-7-21(11)13)14(22)12-3-2-5-20(9-12)15-16-4-8-23-15/h4,8,12H,2-3,5-7,9-10H2,1H3/t12-/m1/s1
InChIKeyVXRVVDOREBOVPB-GFCCVEGCSA-N
MW332.43 g/mol
LogP1.30
Rot. Bonds2

About (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone

(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone (PubChem CID 95291073) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
PubChem CID95291073
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone
SMILESCc1nnc2n1CCN(C(=O)[C@@H]1CCCN(c3nccs3)C1)C2
InChIInChI=1S/C15H20N6OS/c1-11-17-18-13-10-19(6-7-21(11)13)14(22)12-3-2-5-20(9-12)15-16-4-8-23-15/h4,8,12H,2-3,5-7,9-10H2,1H3/t12-/m1/s1
InChIKeyVXRVVDOREBOVPB-GFCCVEGCSA-N
XLogP1.30
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30072707
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 134050436
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
(3S)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739307
(3R)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739298
(3S)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95739299
piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119863925

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone?
The IUPAC name of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone (CID 95291073) is (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone?
The canonical SMILES for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone is Cc1nnc2n1CCN(C(=O)[C@@H]1CCCN(c3nccs3)C1)C2.
What is the InChIKey of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone?
The InChIKey is VXRVVDOREBOVPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-11-17-18-13-10-19(6-7-21(11)13)14(22)12-3-2-5-20(9-12)15-16-4-8-23-15/h4,8,12H,2-3,5-7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone?
(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone has a molecular weight of 332.43 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 95291073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).