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

C14H22N6S — CID 64580444

IUPACN-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(N2CCn3cnnc3C2)sc1CNC(C)(C)C
InChIInChI=1S/C14H22N6S/c1-10-11(7-15-14(2,3)4)21-13(17-10)19-5-6-20-9-16-18-12(20)8-19/h9,15H,5-8H2,1-4H3
InChIKeyDFSOFFUWUVVDRK-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.95
Rot. Bonds3

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

N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 64580444) has the molecular formula C14H22N6S and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID64580444
Molecular FormulaC14H22N6S
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC NameN-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(N2CCn3cnnc3C2)sc1CNC(C)(C)C
InChIInChI=1S/C14H22N6S/c1-10-11(7-15-14(2,3)4)21-13(17-10)19-5-6-20-9-16-18-12(20)8-19/h9,15H,5-8H2,1-4H3
InChIKeyDFSOFFUWUVVDRK-UHFFFAOYSA-N
XLogP1.95
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 64580444) is N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is Cc1nc(N2CCn3cnnc3C2)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DFSOFFUWUVVDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6S/c1-10-11(7-15-14(2,3)4)21-13(17-10)19-5-6-20-9-16-18-12(20)8-19/h9,15H,5-8H2,1-4H3.
What are the key properties of N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 306.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64580444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).