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

C16H22N10O — CID 164688071

IUPAC[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC(C)CCc1nc2n(n1)CCN(C(=O)c1cc(-n3cnnn3)n[nH]1)[C@@H]2C
InChIInChI=1S/C16H22N10O/c1-10(2)4-5-13-18-15-11(3)24(6-7-25(15)21-13)16(27)12-8-14(20-19-12)26-9-17-22-23-26/h8-11H,4-7H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyIQBUHBQBMMTXIW-LLVKDONJSA-N
MW370.42 g/mol
LogP0.78
Rot. Bonds5

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

[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 164688071) has the molecular formula C16H22N10O and a molecular weight of 370.42 g/mol. Its IUPAC name is [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
PubChem CID164688071
Molecular FormulaC16H22N10O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC Name[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
SMILESCC(C)CCc1nc2n(n1)CCN(C(=O)c1cc(-n3cnnn3)n[nH]1)[C@@H]2C
InChIInChI=1S/C16H22N10O/c1-10(2)4-5-13-18-15-11(3)24(6-7-25(15)21-13)16(27)12-8-14(20-19-12)26-9-17-22-23-26/h8-11H,4-7H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyIQBUHBQBMMTXIW-LLVKDONJSA-N
XLogP0.78
TPSA123.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-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

Frequently Asked Questions

What is the IUPAC name of [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (CID 164688071) is [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is CC(C)CCc1nc2n(n1)CCN(C(=O)c1cc(-n3cnnn3)n[nH]1)[C@@H]2C.
What is the InChIKey of [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is IQBUHBQBMMTXIW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N10O/c1-10(2)4-5-13-18-15-11(3)24(6-7-25(15)21-13)16(27)12-8-14(20-19-12)26-9-17-22-23-26/h8-11H,4-7H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?
[(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 370.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-8-methyl-2-(3-methylbutyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 164688071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).