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

C15H21N5O — CID 64577597

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)N2CCn3cnnc3C2)cc1
InChIInChI=1S/C15H21N5O/c1-11(15(16)12-3-5-13(21-2)6-4-12)19-7-8-20-10-17-18-14(20)9-19/h3-6,10-11,15H,7-9,16H2,1-2H3
InChIKeyKFEXOFHIQAITST-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.19
Rot. Bonds4

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine (PubChem CID 64577597) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine
PubChem CID64577597
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(C(N)C(C)N2CCn3cnnc3C2)cc1
InChIInChI=1S/C15H21N5O/c1-11(15(16)12-3-5-13(21-2)6-4-12)19-7-8-20-10-17-18-14(20)9-19/h3-6,10-11,15H,7-9,16H2,1-2H3
InChIKeyKFEXOFHIQAITST-UHFFFAOYSA-N
XLogP1.19
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine
CID 64575344
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methoxy-4-methylpentan-1-amine
CID 106675718
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-ethoxyphenyl)ethanamine
CID 64576464
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-(3-fluoro-4-methylphenyl)ethanamine
CID 64576845
2-(4-cyclopropylphenyl)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanamine
CID 79969076
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-propan-2-ylpropan-1-amine
CID 64580033
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-2-phenylethanamine
CID 64579466
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methoxypyridin-3-amine
CID 113286582
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-amine
CID 106586627
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
CID 64575346
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-thiophen-2-ylethanamine
CID 64574739
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)butanethioamide
CID 64576493

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine (CID 64577597) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine is COc1ccc(C(N)C(C)N2CCn3cnnc3C2)cc1.
What is the InChIKey of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine?
The InChIKey is KFEXOFHIQAITST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11(15(16)12-3-5-13(21-2)6-4-12)19-7-8-20-10-17-18-14(20)9-19/h3-6,10-11,15H,7-9,16H2,1-2H3.
What are the key properties of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine has a molecular weight of 287.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 64577597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).