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

C16H23N5 — CID 64579981

IUPACN-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1N1CCn2cnnc2C1
InChIInChI=1S/C16H23N5/c1-16(2,3)17-10-13-6-4-5-7-14(13)20-8-9-21-12-18-19-15(21)11-20/h4-7,12,17H,8-11H2,1-3H3
InChIKeyAXYHEIHUIYYIKI-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.19
Rot. Bonds3

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

N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 64579981) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID64579981
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccccc1N1CCn2cnnc2C1
InChIInChI=1S/C16H23N5/c1-16(2,3)17-10-13-6-4-5-7-14(13)20-8-9-21-12-18-19-15(21)11-20/h4-7,12,17H,8-11H2,1-3H3
InChIKeyAXYHEIHUIYYIKI-UHFFFAOYSA-N
XLogP2.19
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)phenyl]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)phenyl]methyl]-2-methylpropan-2-amine (CID 64579981) is N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]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)phenyl]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)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccccc1N1CCn2cnnc2C1.
What is the InChIKey of N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is AXYHEIHUIYYIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(2,3)17-10-13-6-4-5-7-14(13)20-8-9-21-12-18-19-15(21)11-20/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 64579981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).