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

C15H21N5 — CID 64575344

IUPAC2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)N2CCn3cnnc3C2)cc1
InChIInChI=1S/C15H21N5/c1-11-3-5-13(6-4-11)15(16)12(2)19-7-8-20-10-17-18-14(20)9-19/h3-6,10,12,15H,7-9,16H2,1-2H3
InChIKeyRBCYFNGMMITMMP-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.49
Rot. Bonds3

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

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine (PubChem CID 64575344) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine
PubChem CID64575344
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(C(N)C(C)N2CCn3cnnc3C2)cc1
InChIInChI=1S/C15H21N5/c1-11-3-5-13(6-4-11)15(16)12(2)19-7-8-20-10-17-18-14(20)9-19/h3-6,10,12,15H,7-9,16H2,1-2H3
InChIKeyRBCYFNGMMITMMP-UHFFFAOYSA-N
XLogP1.49
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methylphenyl)propan-1-amine?
The IUPAC name of 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine (CID 64575344) is 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)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-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine is Cc1ccc(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-methylphenyl)propan-1-amine?
The InChIKey is RBCYFNGMMITMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-3-5-13(6-4-11)15(16)12(2)19-7-8-20-10-17-18-14(20)9-19/h3-6,10,12,15H,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-methylphenyl)propan-1-amine?
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)propan-1-amine has a molecular weight of 271.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 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-methylphenyl)propan-1-amine is sourced from PubChem (CID 64575344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).