5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C13H21ClN6S — CID 120905383

IUPAC5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1nnc2n1CCN(Cc1cnc(N)s1)C2C.Cl
InChIInChI=1S/C13H20N6S.ClH/c1-8(2)11-16-17-12-9(3)18(4-5-19(11)12)7-10-6-15-13(14)20-10;/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15);1H
InChIKeyOJIQACZSILIRFK-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.44
Rot. Bonds3

About 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120905383) has the molecular formula C13H21ClN6S and a molecular weight of 328.87 g/mol. Its IUPAC name is 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120905383
Molecular FormulaC13H21ClN6S
Molecular Weight328.87 g/mol
Exact Mass328.12
IUPAC Name5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1nnc2n1CCN(Cc1cnc(N)s1)C2C.Cl
InChIInChI=1S/C13H20N6S.ClH/c1-8(2)11-16-17-12-9(3)18(4-5-19(11)12)7-10-6-15-13(14)20-10;/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15);1H
InChIKeyOJIQACZSILIRFK-UHFFFAOYSA-N
XLogP2.44
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902676
5-[(3-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900526
7-(imidazo[1,2-a]pyridin-5-ylmethyl)-8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 154754041
3-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]benzoic acid
CID 122033267
5-[(3-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79772681
5-[(2,3-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120900568
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-(4-azatricyclo[4.3.1.13,8]undecan-4-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
CID 120902936
[1-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpyrrolidin-3-yl]methanol
CID 120903792
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901379
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120905383) is 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)c1nnc2n1CCN(Cc1cnc(N)s1)C2C.Cl.
What is the InChIKey of 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is OJIQACZSILIRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S.ClH/c1-8(2)11-16-17-12-9(3)18(4-5-19(11)12)7-10-6-15-13(14)20-10;/h6,8-9H,4-5,7H2,1-3H3,(H2,14,15);1H.
What are the key properties of 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120905383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).