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

C14H18BrN5 — CID 64579826

IUPAC1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine
SMILESNC(CCN1CCn2cnnc2C1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN5/c15-12-3-1-11(2-4-12)13(16)5-6-19-7-8-20-10-17-18-14(20)9-19/h1-4,10,13H,5-9,16H2
InChIKeyWVYOOCMLVDTUOA-UHFFFAOYSA-N
MW336.24 g/mol
LogP1.95
Rot. Bonds4

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

1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine (PubChem CID 64579826) has the molecular formula C14H18BrN5 and a molecular weight of 336.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine
PubChem CID64579826
Molecular FormulaC14H18BrN5
Molecular Weight336.24 g/mol
Exact Mass335.07
IUPAC Name1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine
SMILESNC(CCN1CCn2cnnc2C1)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrN5/c15-12-3-1-11(2-4-12)13(16)5-6-19-7-8-20-10-17-18-14(20)9-19/h1-4,10,13H,5-9,16H2
InChIKeyWVYOOCMLVDTUOA-UHFFFAOYSA-N
XLogP1.95
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(4-methylphenyl)ethanamine
CID 64575346
1-(4-bromophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 62619055
5-bromo-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)aniline
CID 79713501
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,4,4-trimethylpentan-3-amine
CID 64579251
[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)phenyl]methanamine
CID 64575255
1-(4-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-amine
CID 62932000
3-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)aniline
CID 64577277
5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-methylpentan-2-amine
CID 64575350
7-(5-chloropentyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 64578046
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]cyclopentan-1-amine
CID 64680170
1-(2-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 64579628
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1-(2,5-dimethylphenyl)ethanamine
CID 64575343

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine (CID 64579826) is 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine is NC(CCN1CCn2cnnc2C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine?
The InChIKey is WVYOOCMLVDTUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5/c15-12-3-1-11(2-4-12)13(16)5-6-19-7-8-20-10-17-18-14(20)9-19/h1-4,10,13H,5-9,16H2.
What are the key properties of 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine?
1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine has a molecular weight of 336.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-amine is sourced from PubChem (CID 64579826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).